A1MAI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.46Å | 1.43Å | |
| C1 | C12 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | doub | 1.33Å | 1.35Å | |
| C3 | C4 | sing | 1.51Å | 1.48Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C4 | C6 | sing | 1.53Å | 1.47Å | |
| C4 | O2 | sing | 1.43Å | 1.44Å | |
| C6 | O2 | sing | 1.43Å | 1.45Å | |
| C6 | C7 | sing | 1.53Å | 1.50Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | O3 | sing | 1.45Å | 1.46Å | |
| C10 | C11 | sing | 1.53Å | 1.50Å | |
| O3 | C31 | sing | 1.34Å | 1.34Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C15 | C18 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C17 | O4 | doub | 1.21Å | 1.22Å | |
| C18 | O5 | sing | 1.43Å | 1.44Å | |
| C18 | C27 | sing | 1.53Å | 1.54Å | |
| O5 | C19 | sing | 1.43Å | 1.40Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | O7 | sing | 1.43Å | 1.43Å | |
| C20 | O6 | sing | 1.43Å | 1.42Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | N1 | sing | 1.47Å | 1.48Å | |
| C21 | C24 | sing | 1.53Å | 1.53Å | |
| N1 | C22 | sing | 1.47Å | 1.46Å | |
| N1 | C23 | sing | 1.47Å | 1.46Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C25 | O7 | sing | 1.43Å | 1.43Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | O8 | sing | 1.43Å | 1.44Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C30 | C31 | sing | 1.51Å | 1.51Å | |
| C31 | O9 | doub | 1.21Å | 1.20Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.08Å | 1.08Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C24 | H38 | sing | 1.09Å | 1.10Å | |
| C24 | H39 | sing | 1.09Å | 1.10Å | |
| C25 | H40 | sing | 1.09Å | 1.10Å | |
| C26 | H41 | sing | 1.09Å | 1.10Å | |
| C26 | H42 | sing | 1.09Å | 1.10Å | |
| C26 | H43 | sing | 1.09Å | 1.10Å | |
| C27 | H44 | sing | 1.09Å | 1.10Å | |
| C28 | H45 | sing | 1.09Å | 1.10Å | |
| C28 | H46 | sing | 1.09Å | 1.10Å | |
| C28 | H47 | sing | 1.09Å | 1.10Å | |
| C29 | H48 | sing | 1.09Å | 1.10Å | |
| C30 | H50 | sing | 1.09Å | 1.10Å | |
| C30 | H51 | sing | 1.09Å | 1.10Å | |
| O6 | H30 | sing | 0.97Å | 0.95Å | |
| O8 | H49 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 122.5° | 120.0° |
| O1 | C1 | C12 | 122.0° | 120.0° |
| C2 | C1 | C12 | 115.5° | 120.0° |
| C1 | C2 | C3 | 121.8° | 120.0° |
| C1 | C2 | H1 | 119.1° | 120.0° |
| C1 | C12 | C13 | 109.6° | 109.5° |
| C1 | C12 | C14 | 111.5° | 109.5° |
| C1 | C12 | H17 | 108.8° | 109.4° |
| C2 | C3 | C4 | 124.7° | 119.9° |
| C3 | C2 | H1 | 119.2° | 120.0° |
| C2 | C3 | H2 | 117.7° | 120.1° |
| C3 | C4 | C5 | 112.6° | 115.7° |
| C3 | C4 | C6 | 119.7° | 117.8° |
| C3 | C4 | O2 | 114.6° | 117.9° |
| C4 | C3 | H2 | 117.6° | 120.1° |
| C5 | C4 | C6 | 122.5° | 117.8° |
| C5 | C4 | O2 | 117.0° | 117.8° |
| C4 | C5 | H3 | 109.5° | 109.4° |
| C4 | C5 | H4 | 109.5° | 109.5° |
| C4 | C5 | H5 | 109.5° | 109.5° |
| C6 | C4 | O2 | 59.6° | 57.6° |
| C4 | C6 | O2 | 59.2° | 57.6° |
| C4 | C6 | C7 | 122.7° | 117.7° |
| C4 | C6 | H6 | 117.3° | 117.9° |
| C4 | O2 | C6 | 61.3° | 64.7° |
| O2 | C6 | C7 | 109.0° | 117.8° |
| O2 | C6 | H6 | 117.8° | 117.7° |
| C6 | C7 | C8 | 109.9° | 109.5° |
| C6 | C7 | C9 | 110.5° | 109.4° |
| C6 | C7 | H7 | 107.7° | 109.4° |
| C7 | C6 | H6 | 116.7° | 115.7° |
| C8 | C7 | C9 | 113.9° | 109.5° |
| C7 | C8 | H10 | 109.5° | 109.5° |
| C7 | C8 | H8 | 109.5° | 109.4° |
| C7 | C8 | H9 | 109.5° | 109.5° |
| C8 | C7 | H7 | 107.3° | 109.5° |
| C7 | C9 | C10 | 112.7° | 109.4° |
| C7 | C9 | O3 | 101.5° | 109.5° |
| C7 | C9 | H11 | 109.4° | 109.5° |
| C9 | C7 | H7 | 107.4° | 109.5° |
| C10 | C9 | O3 | 113.3° | 109.4° |
| C9 | C10 | C11 | 115.1° | 109.5° |
| C9 | C10 | H12 | 108.0° | 109.5° |
| C9 | C10 | H13 | 108.1° | 109.5° |
| C10 | C9 | H11 | 109.3° | 109.5° |
| C9 | O3 | C31 | 118.3° | 117.0° |
| O3 | C9 | H11 | 110.3° | 109.5° |
| C11 | C10 | H12 | 108.1° | 109.5° |
| C11 | C10 | H13 | 108.1° | 109.5° |
| C10 | C11 | H14 | 109.5° | 109.5° |
| C10 | C11 | H15 | 109.5° | 109.5° |
| C10 | C11 | H16 | 109.5° | 109.5° |
| O3 | C31 | C30 | 115.4° | 120.0° |
| O3 | C31 | O9 | 120.7° | 120.0° |
| C13 | C12 | C14 | 109.8° | 109.5° |
| C13 | C12 | H17 | 108.6° | 109.5° |
| C12 | C13 | H18 | 109.5° | 109.5° |
| C12 | C13 | H19 | 109.5° | 109.4° |
| C12 | C13 | H20 | 109.4° | 109.5° |
| C12 | C14 | C15 | 114.8° | 109.5° |
| C14 | C12 | H17 | 108.6° | 109.5° |
| C12 | C14 | H21 | 108.1° | 109.5° |
| C12 | C14 | H22 | 108.1° | 109.5° |
| C14 | C15 | C16 | 111.5° | 109.5° |
| C14 | C15 | C18 | 106.7° | 109.5° |
| C15 | C14 | H21 | 108.1° | 109.5° |
| C15 | C14 | H22 | 108.1° | 109.4° |
| C14 | C15 | H23 | 109.3° | 109.4° |
| C16 | C15 | C18 | 110.8° | 109.5° |
| C15 | C16 | C17 | 120.3° | 109.5° |
| C16 | C15 | H23 | 109.2° | 109.5° |
| C15 | C16 | H24 | 106.7° | 109.5° |
| C15 | C16 | H25 | 106.7° | 109.4° |
| C15 | C18 | O5 | 111.0° | 109.5° |
| C15 | C18 | C27 | 112.0° | 109.5° |
| C18 | C15 | H23 | 109.3° | 109.4° |
| C15 | C18 | H27 | 107.6° | 109.4° |
| C16 | C17 | O4 | 127.4° | 120.0° |
| C17 | C16 | H24 | 106.7° | 109.5° |
| C17 | C16 | H25 | 106.7° | 109.5° |
| C16 | C17 | H26 | 116.3° | 120.0° |
| O4 | C17 | H26 | 116.3° | 120.0° |
| O5 | C18 | C27 | 109.5° | 109.5° |
| C18 | O5 | C19 | 114.2° | 114.0° |
| O5 | C18 | H27 | 108.9° | 109.4° |
| C18 | C27 | C28 | 111.7° | 109.5° |
| C18 | C27 | C29 | 114.9° | 109.4° |
| C27 | C18 | H27 | 107.7° | 109.5° |
| C18 | C27 | H44 | 105.5° | 109.5° |
| O5 | C19 | C20 | 109.8° | 109.5° |
| O5 | C19 | O7 | 106.3° | 109.5° |
| O5 | C19 | H28 | 110.7° | 109.5° |
| C20 | C19 | O7 | 110.7° | 109.4° |
| C19 | C20 | O6 | 110.0° | 109.5° |
| C19 | C20 | C21 | 107.8° | 109.2° |
| C20 | C19 | H28 | 108.9° | 109.4° |
| C19 | C20 | H29 | 109.1° | 109.5° |
| C19 | O7 | C25 | 114.0° | 114.1° |
| O7 | C19 | H28 | 110.4° | 109.5° |
| O6 | C20 | C21 | 109.9° | 109.5° |
| O6 | C20 | H29 | 110.7° | 109.5° |
| C20 | O6 | H30 | 109.5° | 114.1° |
| C20 | C21 | N1 | 109.9° | 109.5° |
| C20 | C21 | C24 | 108.6° | 109.0° |
| C21 | C20 | H29 | 109.3° | 109.5° |
| C20 | C21 | H31 | 107.0° | 109.5° |
| N1 | C21 | C24 | 116.6° | 109.5° |
| C21 | N1 | C22 | 113.0° | 111.0° |
| C21 | N1 | C23 | 112.4° | 111.0° |
| N1 | C21 | H31 | 107.4° | 109.6° |
| C21 | C24 | C25 | 110.2° | 109.2° |
| C24 | C21 | H31 | 106.9° | 109.6° |
| C21 | C24 | H38 | 109.3° | 109.5° |
| C21 | C24 | H39 | 109.3° | 109.5° |
| C22 | N1 | C23 | 109.3° | 111.0° |
| N1 | C22 | H32 | 109.5° | 109.5° |
| N1 | C22 | H33 | 109.5° | 109.4° |
| N1 | C22 | H34 | 109.5° | 109.5° |
| N1 | C23 | H35 | 109.5° | 109.5° |
| N1 | C23 | H36 | 109.5° | 109.5° |
| N1 | C23 | H37 | 109.4° | 109.5° |
| C24 | C25 | C26 | 113.2° | 109.5° |
| C24 | C25 | O7 | 109.4° | 109.5° |
| C25 | C24 | H38 | 109.3° | 109.5° |
| C25 | C24 | H39 | 109.3° | 109.5° |
| C24 | C25 | H40 | 109.0° | 109.5° |
| C26 | C25 | O7 | 105.8° | 109.5° |
| C26 | C25 | H40 | 109.1° | 109.4° |
| C25 | C26 | H41 | 109.5° | 109.5° |
| C25 | C26 | H42 | 109.5° | 109.5° |
| C25 | C26 | H43 | 109.5° | 109.5° |
| O7 | C25 | H40 | 110.2° | 109.5° |
| C28 | C27 | C29 | 112.6° | 109.4° |
| C28 | C27 | H44 | 105.7° | 109.5° |
| C27 | C28 | H45 | 109.5° | 109.5° |
| C27 | C28 | H46 | 109.4° | 109.5° |
| C27 | C28 | H47 | 109.5° | 109.4° |
| C27 | C29 | O8 | 110.3° | 109.5° |
| C27 | C29 | C30 | 113.6° | 109.5° |
| C29 | C27 | H44 | 105.6° | 109.5° |
| C27 | C29 | H48 | 106.7° | 109.5° |
| O8 | C29 | C30 | 111.3° | 109.5° |
| O8 | C29 | H48 | 107.8° | 109.4° |
| C29 | O8 | H49 | 109.5° | 114.0° |
| C29 | C30 | C31 | 119.2° | 109.5° |
| C30 | C29 | H48 | 106.8° | 109.5° |
| C29 | C30 | H50 | 107.0° | 109.5° |
| C29 | C30 | H51 | 107.0° | 109.5° |
| C30 | C31 | O9 | 123.9° | 120.0° |
| C31 | C30 | H50 | 107.0° | 109.5° |
| C31 | C30 | H51 | 107.0° | 109.5° |
| H12 | C10 | H13 | 109.5° | 109.4° |
| H10 | C8 | H8 | 109.5° | 109.4° |
| H10 | C8 | H9 | 109.4° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.4° | 109.5° |
| H3 | C5 | H5 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.4° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| H14 | C11 | H16 | 109.4° | 109.4° |
| H15 | C11 | H16 | 109.5° | 109.5° |
| H18 | C13 | H19 | 109.5° | 109.5° |
| H18 | C13 | H20 | 109.5° | 109.5° |
| H19 | C13 | H20 | 109.5° | 109.5° |
| H21 | C14 | H22 | 109.5° | 109.5° |
| H24 | C16 | H25 | 109.5° | 109.5° |
| H32 | C22 | H33 | 109.5° | 109.4° |
| H32 | C22 | H34 | 109.4° | 109.5° |
| H33 | C22 | H34 | 109.5° | 109.4° |
| H35 | C23 | H36 | 109.4° | 109.5° |
| H35 | C23 | H37 | 109.5° | 109.5° |
| H36 | C23 | H37 | 109.5° | 109.4° |
| H38 | C24 | H39 | 109.5° | 109.6° |
| H41 | C26 | H42 | 109.5° | 109.4° |
| H41 | C26 | H43 | 109.5° | 109.5° |
| H42 | C26 | H43 | 109.5° | 109.5° |
| H45 | C28 | H46 | 109.5° | 109.5° |
| H45 | C28 | H47 | 109.5° | 109.5° |
| H46 | C28 | H47 | 109.5° | 109.5° |
| H50 | C30 | H51 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | C12 | 179.6° | 180.0° |
| O1 | C1 | C2 | C3 | 0.4° | 0.7° |
| O1 | C1 | C12 | C13 | 4.9° | 122.0° |
| O1 | C1 | C12 | C14 | 116.9° | 118.0° |
| O1 | C1 | C2 | H1 | 179.7° | 179.3° |
| O1 | C1 | C12 | H17 | 123.4° | 2.0° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 136.7° | 180.0° |
| C2 | C1 | C12 | C13 | 174.7° | 58.1° |
| C2 | C1 | C12 | C14 | 63.6° | 62.0° |
| C1 | C2 | C3 | H2 | 43.3° | 0.1° |
| C2 | C1 | C12 | H17 | 56.2° | 178.0° |
| C12 | C1 | C2 | C3 | 179.2° | 179.4° |
| C1 | C12 | C13 | C14 | 122.8° | 120.1° |
| C1 | C12 | C13 | H17 | 118.6° | 119.9° |
| C1 | C12 | C14 | H17 | 119.8° | 120.0° |
| C1 | C12 | C14 | C15 | 136.0° | 111.7° |
| C12 | C1 | C2 | H1 | 0.8° | 0.7° |
| C1 | C12 | C13 | H18 | 180.0° | 77.4° |
| C1 | C12 | C13 | H19 | 60.0° | 162.6° |
| C1 | C12 | C13 | H20 | 60.0° | 42.6° |
| C1 | C12 | C14 | H21 | 15.2° | 128.3° |
| C1 | C12 | C14 | H22 | 103.2° | 8.2° |
| C2 | C3 | C4 | H2 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 41.3° | 61.7° |
| C2 | C3 | C4 | C6 | 114.0° | 85.2° |
| C2 | C3 | C4 | O2 | 178.3° | 151.2° |
| C3 | C4 | C5 | C6 | 154.5° | 146.9° |
| C3 | C4 | C5 | O2 | 136.0° | 147.1° |
| C3 | C4 | C6 | O2 | 102.8° | 106.9° |
| C3 | C4 | C6 | C7 | 163.3° | 146.2° |
| C4 | C3 | C2 | H1 | 43.4° | 0.1° |
| C3 | C4 | C5 | H3 | 180.0° | 85.6° |
| C3 | C4 | C5 | H4 | 60.0° | 154.4° |
| C3 | C4 | C5 | H5 | 60.0° | 34.4° |
| C3 | C4 | C6 | H6 | 4.9° | 0.2° |
| C5 | C4 | C6 | O2 | 104.5° | 106.9° |
| C5 | C4 | C6 | C7 | 10.5° | 0.0° |
| C5 | C4 | C3 | H2 | 138.7° | 118.2° |
| C4 | C5 | H3 | H4 | 120.0° | 120.0° |
| C4 | C5 | H3 | H5 | 120.0° | 120.0° |
| C4 | C5 | H4 | H5 | 120.0° | 120.0° |
| C5 | C4 | C6 | H6 | 147.9° | 146.4° |
| C4 | C6 | O2 | C7 | 117.3° | 106.8° |
| C4 | C6 | O2 | H6 | 106.8° | 107.0° |
| C4 | C6 | C7 | H6 | 158.6° | 147.1° |
| C4 | C6 | C7 | C8 | 127.9° | 110.4° |
| C4 | C6 | C7 | C9 | 105.6° | 129.6° |
| C4 | C6 | C7 | H7 | 11.4° | 9.7° |
| C6 | C4 | C3 | H2 | 66.0° | 94.9° |
| C6 | C4 | C5 | H3 | 25.5° | 61.3° |
| C6 | C4 | C5 | H4 | 145.5° | 58.7° |
| C6 | C4 | C5 | H5 | 94.5° | 178.7° |
| O2 | C4 | C3 | H2 | 1.7° | 28.8° |
| O2 | C4 | C5 | H3 | 44.0° | 127.3° |
| O2 | C4 | C5 | H4 | 75.9° | 7.3° |
| O2 | C4 | C5 | H5 | 164.1° | 112.7° |
| O2 | C6 | C7 | H6 | 136.4° | 146.9° |
| O2 | C6 | C7 | C8 | 63.0° | 44.4° |
| O2 | C6 | C7 | C9 | 170.6° | 164.4° |
| O2 | C6 | C7 | H7 | 53.6° | 75.7° |
| C6 | C7 | C8 | C9 | 124.5° | 120.0° |
| C6 | C7 | C8 | H7 | 116.8° | 120.0° |
| C6 | C7 | C9 | H7 | 117.2° | 119.9° |
| C6 | C7 | C9 | C10 | 170.9° | 151.2° |
| C6 | C7 | C9 | O3 | 49.3° | 88.9° |
| C6 | C7 | C9 | H11 | 67.3° | 31.2° |
| C6 | C7 | C8 | H10 | 180.0° | 58.9° |
| C6 | C7 | C8 | H8 | 60.0° | 61.1° |
| C6 | C7 | C8 | H9 | 60.0° | 178.9° |
| C8 | C7 | C9 | H7 | 118.7° | 120.0° |
| C8 | C7 | C9 | C10 | 65.0° | 31.1° |
| C8 | C7 | C9 | O3 | 173.5° | 151.1° |
| C8 | C7 | C9 | H11 | 56.9° | 88.8° |
| C7 | C8 | H10 | H8 | 120.0° | 119.9° |
| C7 | C8 | H10 | H9 | 120.0° | 120.0° |
| C7 | C8 | H8 | H9 | 120.0° | 120.0° |
| C8 | C7 | C6 | H6 | 73.5° | 102.5° |
| C7 | C9 | C10 | O3 | 114.6° | 120.0° |
| C7 | C9 | C10 | H11 | 121.9° | 120.0° |
| C7 | C9 | O3 | H11 | 115.9° | 120.0° |
| C7 | C9 | C10 | C11 | 178.8° | 62.7° |
| C7 | C9 | O3 | C31 | 151.9° | 165.9° |
| C7 | C9 | C10 | H12 | 58.0° | 177.3° |
| C7 | C9 | C10 | H13 | 60.3° | 57.4° |
| C9 | C7 | C8 | H10 | 55.5° | 61.1° |
| C9 | C7 | C8 | H8 | 64.5° | 178.9° |
| C9 | C7 | C8 | H9 | 175.5° | 58.9° |
| C9 | C7 | C6 | H6 | 52.9° | 17.5° |
| C10 | C9 | O3 | H11 | 123.0° | 120.0° |
| C9 | C10 | C11 | H12 | 120.8° | 120.0° |
| C9 | C10 | C11 | H13 | 120.8° | 120.0° |
| C10 | C9 | O3 | C31 | 87.0° | 74.1° |
| C9 | C10 | H12 | H13 | 117.5° | 120.0° |
| C10 | C9 | C7 | H7 | 53.7° | 88.9° |
| C9 | C10 | C11 | H14 | 180.0° | 63.5° |
| C9 | C10 | C11 | H15 | 60.0° | 56.5° |
| C9 | C10 | C11 | H16 | 60.0° | 176.5° |
| O3 | C9 | C10 | C11 | 66.6° | 57.3° |
| C9 | O3 | C31 | C30 | 159.4° | 180.0° |
| C9 | O3 | C31 | O9 | 18.0° | 0.0° |
| O3 | C9 | C10 | H12 | 172.6° | 62.7° |
| O3 | C9 | C10 | H13 | 54.2° | 177.4° |
| O3 | C9 | C7 | H7 | 67.9° | 31.1° |
| C11 | C10 | H12 | H13 | 117.5° | 120.0° |
| C11 | C10 | C9 | H11 | 56.9° | 177.3° |
| C10 | C11 | H14 | H15 | 120.0° | 120.0° |
| C10 | C11 | H14 | H16 | 120.0° | 120.0° |
| C10 | C11 | H15 | H16 | 120.0° | 120.0° |
| O3 | C31 | C30 | C29 | 67.5° | 123.3° |
| O3 | C31 | C30 | O9 | 177.3° | 180.0° |
| C31 | O3 | C9 | H11 | 36.0° | 45.9° |
| O3 | C31 | C30 | H50 | 53.9° | 3.3° |
| O3 | C31 | C30 | H51 | 171.2° | 116.6° |
| C13 | C12 | C14 | H17 | 118.5° | 120.0° |
| C13 | C12 | C14 | C15 | 102.4° | 8.3° |
| C12 | C13 | H18 | H19 | 120.0° | 119.9° |
| C12 | C13 | H18 | H20 | 120.0° | 120.0° |
| C12 | C13 | H19 | H20 | 120.0° | 120.0° |
| C13 | C12 | C14 | H21 | 136.8° | 111.7° |
| C13 | C12 | C14 | H22 | 18.4° | 128.2° |
| C12 | C14 | C15 | H21 | 120.8° | 120.0° |
| C12 | C14 | C15 | H22 | 120.8° | 120.0° |
| C12 | C14 | C15 | C16 | 99.9° | 71.8° |
| C12 | C14 | C15 | C18 | 139.0° | 168.2° |
| C14 | C12 | C13 | H18 | 57.2° | 162.5° |
| C14 | C12 | C13 | H19 | 62.8° | 42.5° |
| C14 | C12 | C13 | H20 | 177.2° | 77.5° |
| C12 | C14 | H21 | H22 | 117.6° | 120.0° |
| C12 | C14 | C15 | H23 | 21.0° | 48.3° |
| C14 | C15 | C16 | C18 | 118.7° | 120.0° |
| C14 | C15 | C16 | H23 | 120.9° | 120.0° |
| C14 | C15 | C18 | H23 | 118.1° | 119.9° |
| C14 | C15 | C16 | C17 | 67.3° | 53.4° |
| C14 | C15 | C18 | O5 | 10.0° | 92.1° |
| C14 | C15 | C18 | C27 | 112.8° | 147.9° |
| C15 | C14 | C12 | H17 | 16.2° | 128.3° |
| C15 | C14 | H21 | H22 | 117.6° | 119.9° |
| C14 | C15 | C16 | H24 | 171.2° | 66.6° |
| C14 | C15 | C16 | H25 | 54.2° | 173.4° |
| C14 | C15 | C18 | H27 | 129.1° | 27.9° |
| C16 | C15 | C18 | H23 | 120.4° | 120.1° |
| C15 | C16 | C17 | H24 | 121.5° | 120.0° |
| C15 | C16 | C17 | H25 | 121.5° | 120.0° |
| C15 | C16 | C17 | O4 | 147.5° | 149.2° |
| C16 | C15 | C18 | O5 | 111.6° | 147.9° |
| C16 | C15 | C18 | C27 | 125.7° | 27.9° |
| C16 | C15 | C14 | H21 | 139.4° | 168.2° |
| C16 | C15 | C14 | H22 | 20.9° | 48.2° |
| C15 | C16 | H24 | H25 | 115.1° | 120.0° |
| C15 | C16 | C17 | H26 | 32.5° | 30.8° |
| C16 | C15 | C18 | H27 | 7.5° | 92.1° |
| C18 | C15 | C16 | C17 | 174.0° | 66.6° |
| C15 | C18 | O5 | C27 | 124.2° | 120.0° |
| C15 | C18 | O5 | H27 | 118.3° | 120.0° |
| C15 | C18 | C27 | H27 | 118.2° | 120.0° |
| C15 | C18 | O5 | C19 | 108.4° | 138.7° |
| C15 | C18 | C27 | C28 | 52.0° | 136.1° |
| C15 | C18 | C27 | C29 | 77.9° | 103.9° |
| C18 | C15 | C14 | H21 | 18.2° | 48.2° |
| C18 | C15 | C14 | H22 | 100.2° | 71.8° |
| C18 | C15 | C16 | H24 | 52.5° | 173.4° |
| C18 | C15 | C16 | H25 | 64.5° | 53.4° |
| C15 | C18 | C27 | H44 | 166.3° | 16.1° |
| C16 | C17 | O4 | H26 | 180.0° | 180.0° |
| C17 | C16 | C15 | H23 | 53.6° | 173.4° |
| C17 | C16 | H24 | H25 | 115.1° | 120.0° |
| O4 | C17 | C16 | H24 | 26.0° | 29.2° |
| O4 | C17 | C16 | H25 | 91.0° | 90.8° |
| O5 | C18 | C27 | H27 | 118.2° | 120.0° |
| C18 | O5 | C19 | C20 | 157.6° | 170.3° |
| C18 | O5 | C19 | O7 | 82.5° | 69.7° |
| O5 | C18 | C27 | C28 | 175.6° | 16.1° |
| O5 | C18 | C27 | C29 | 45.8° | 136.0° |
| O5 | C18 | C15 | H23 | 128.0° | 27.9° |
| C18 | O5 | C19 | H28 | 37.4° | 50.4° |
| O5 | C18 | C27 | H44 | 70.0° | 104.0° |
| C27 | C18 | O5 | C19 | 127.4° | 101.2° |
| C18 | C27 | C28 | C29 | 131.0° | 120.0° |
| C18 | C27 | C28 | H44 | 114.2° | 120.0° |
| C18 | C27 | C29 | H44 | 115.8° | 120.0° |
| C18 | C27 | C29 | O8 | 88.3° | 105.5° |
| C18 | C27 | C29 | C30 | 145.9° | 134.5° |
| C27 | C18 | C15 | H23 | 5.3° | 92.1° |
| C18 | C27 | C28 | H45 | 180.0° | 63.1° |
| C18 | C27 | C28 | H46 | 60.0° | 176.9° |
| C18 | C27 | C28 | H47 | 60.0° | 56.9° |
| C18 | C27 | C29 | H48 | 28.5° | 14.5° |
| O5 | C19 | C20 | O7 | 117.1° | 120.0° |
| O5 | C19 | C20 | H28 | 121.3° | 120.0° |
| O5 | C19 | O7 | H28 | 120.1° | 120.1° |
| O5 | C19 | C20 | O6 | 64.5° | 62.5° |
| O5 | C19 | C20 | C21 | 175.7° | 177.6° |
| O5 | C19 | O7 | C25 | 179.1° | 178.9° |
| C19 | O5 | C18 | H27 | 10.0° | 18.8° |
| O5 | C19 | C20 | H29 | 57.2° | 57.7° |
| C20 | C19 | O7 | H28 | 120.7° | 119.9° |
| C19 | C20 | O6 | C21 | 118.5° | 119.7° |
| C19 | C20 | O6 | H29 | 120.7° | 120.1° |
| C19 | C20 | C21 | H29 | 118.4° | 119.9° |
| C19 | C20 | C21 | N1 | 173.2° | 176.8° |
| C19 | C20 | C21 | C24 | 58.2° | 57.0° |
| C20 | C19 | O7 | C25 | 59.9° | 61.1° |
| C19 | C20 | C21 | H31 | 56.8° | 63.0° |
| C19 | C20 | O6 | H30 | 180.0° | 60.0° |
| O7 | C19 | C20 | O6 | 178.4° | 177.5° |
| O7 | C19 | C20 | C21 | 58.6° | 57.6° |
| C19 | O7 | C25 | C24 | 58.2° | 61.1° |
| C19 | O7 | C25 | C26 | 179.6° | 178.8° |
| O7 | C19 | C20 | H29 | 60.0° | 62.4° |
| C19 | O7 | C25 | H40 | 61.7° | 58.9° |
| O6 | C20 | C21 | H29 | 121.7° | 120.1° |
| O6 | C20 | C21 | N1 | 53.3° | 63.3° |
| O6 | C20 | C21 | C24 | 178.1° | 176.9° |
| O6 | C20 | C19 | H28 | 56.9° | 57.6° |
| O6 | C20 | C21 | H31 | 63.1° | 57.0° |
| C20 | C21 | N1 | C24 | 124.1° | 119.5° |
| C20 | C21 | N1 | H31 | 116.1° | 120.2° |
| C20 | C21 | C24 | H31 | 115.1° | 119.9° |
| C20 | C21 | N1 | C22 | 61.4° | 66.5° |
| C20 | C21 | N1 | C23 | 174.3° | 169.6° |
| C20 | C21 | C24 | C25 | 58.7° | 56.9° |
| C21 | C20 | C19 | H28 | 63.0° | 62.4° |
| C20 | C21 | C24 | H38 | 178.7° | 176.9° |
| C20 | C21 | C24 | H39 | 61.4° | 62.9° |
| C21 | C20 | O6 | H30 | 61.5° | 179.7° |
| N1 | C21 | C24 | H31 | 120.1° | 120.3° |
| C21 | N1 | C22 | C23 | 126.0° | 123.9° |
| N1 | C21 | C24 | C25 | 176.5° | 176.8° |
| N1 | C21 | C20 | H29 | 68.4° | 56.9° |
| C21 | N1 | C22 | H32 | 180.0° | 180.0° |
| C21 | N1 | C22 | H33 | 60.0° | 60.0° |
| C21 | N1 | C22 | H34 | 60.0° | 59.9° |
| C21 | N1 | C23 | H35 | 180.0° | 69.0° |
| C21 | N1 | C23 | H36 | 60.0° | 51.0° |
| C21 | N1 | C23 | H37 | 60.0° | 171.0° |
| N1 | C21 | C24 | H38 | 56.5° | 63.3° |
| N1 | C21 | C24 | H39 | 63.4° | 56.9° |
| C24 | C21 | N1 | C22 | 62.7° | 53.1° |
| C24 | C21 | N1 | C23 | 61.6° | 70.9° |
| C21 | C24 | C25 | H38 | 120.1° | 119.9° |
| C21 | C24 | C25 | H39 | 120.1° | 119.9° |
| C21 | C24 | C25 | C26 | 174.5° | 177.6° |
| C21 | C24 | C25 | O7 | 56.8° | 57.6° |
| C24 | C21 | C20 | H29 | 60.2° | 63.0° |
| C21 | C24 | H38 | H39 | 119.7° | 120.2° |
| C21 | C24 | C25 | H40 | 63.8° | 62.4° |
| C22 | N1 | C21 | H31 | 177.5° | 173.3° |
| N1 | C22 | H32 | H33 | 120.0° | 120.0° |
| N1 | C22 | H32 | H34 | 120.0° | 120.1° |
| N1 | C22 | H33 | H34 | 120.0° | 120.0° |
| C22 | N1 | C23 | H35 | 53.7° | 55.0° |
| C22 | N1 | C23 | H36 | 66.3° | 175.0° |
| C22 | N1 | C23 | H37 | 173.7° | 65.1° |
| C23 | N1 | C21 | H31 | 58.2° | 49.4° |
| C23 | N1 | C22 | H32 | 54.0° | 56.1° |
| C23 | N1 | C22 | H33 | 174.0° | 176.0° |
| C23 | N1 | C22 | H34 | 66.0° | 64.0° |
| N1 | C23 | H35 | H36 | 120.0° | 120.0° |
| N1 | C23 | H35 | H37 | 120.0° | 120.0° |
| N1 | C23 | H36 | H37 | 120.0° | 120.0° |
| C24 | C25 | C26 | O7 | 119.8° | 120.0° |
| C24 | C25 | C26 | H40 | 121.7° | 120.0° |
| C24 | C25 | O7 | H40 | 119.9° | 120.0° |
| C25 | C24 | C21 | H31 | 56.4° | 62.9° |
| C25 | C24 | H38 | H39 | 119.7° | 120.1° |
| C24 | C25 | C26 | H41 | 180.0° | 60.0° |
| C24 | C25 | C26 | H42 | 60.0° | 180.0° |
| C24 | C25 | C26 | H43 | 60.0° | 60.0° |
| C26 | C25 | O7 | H40 | 117.8° | 120.0° |
| C26 | C25 | C24 | H38 | 65.4° | 62.4° |
| C26 | C25 | C24 | H39 | 54.4° | 57.7° |
| C25 | C26 | H41 | H42 | 120.0° | 120.0° |
| C25 | C26 | H41 | H43 | 120.0° | 120.0° |
| C25 | C26 | H42 | H43 | 120.0° | 120.0° |
| C25 | O7 | C19 | H28 | 60.8° | 58.8° |
| O7 | C25 | C24 | H38 | 176.9° | 177.5° |
| O7 | C25 | C24 | H39 | 63.3° | 62.3° |
| O7 | C25 | C26 | H41 | 60.2° | 60.0° |
| O7 | C25 | C26 | H42 | 179.8° | 60.0° |
| O7 | C25 | C26 | H43 | 59.8° | 180.0° |
| C28 | C27 | C29 | H44 | 114.8° | 120.0° |
| C28 | C27 | C29 | O8 | 41.1° | 14.5° |
| C28 | C27 | C29 | C30 | 84.7° | 105.5° |
| C28 | C27 | C18 | H27 | 66.2° | 103.9° |
| C27 | C28 | H45 | H46 | 120.0° | 120.0° |
| C27 | C28 | H45 | H47 | 120.0° | 120.0° |
| C27 | C28 | H46 | H47 | 120.0° | 119.9° |
| C28 | C27 | C29 | H48 | 157.9° | 134.4° |
| C27 | C29 | O8 | C30 | 127.1° | 120.0° |
| C27 | C29 | O8 | H48 | 116.1° | 120.0° |
| C27 | C29 | C30 | H48 | 117.3° | 120.0° |
| C27 | C29 | C30 | C31 | 176.8° | 139.3° |
| C29 | C27 | C18 | H27 | 164.0° | 16.0° |
| C29 | C27 | C28 | H45 | 49.0° | 56.8° |
| C29 | C27 | C28 | H46 | 169.0° | 63.2° |
| C29 | C27 | C28 | H47 | 71.1° | 176.9° |
| C27 | C29 | C30 | H50 | 61.9° | 19.3° |
| C27 | C29 | C30 | H51 | 55.4° | 100.7° |
| C27 | C29 | O8 | H49 | 180.0° | 180.0° |
| O8 | C29 | C30 | H48 | 117.4° | 120.0° |
| O8 | C29 | C30 | C31 | 51.5° | 100.7° |
| O8 | C29 | C27 | H44 | 155.9° | 134.5° |
| O8 | C29 | C30 | H50 | 172.8° | 139.3° |
| O8 | C29 | C30 | H51 | 69.9° | 19.3° |
| C29 | C30 | C31 | H50 | 121.4° | 120.0° |
| C29 | C30 | C31 | H51 | 121.4° | 120.1° |
| C29 | C30 | C31 | O9 | 115.2° | 56.6° |
| C30 | C29 | C27 | H44 | 30.1° | 14.5° |
| C29 | C30 | H50 | H51 | 115.6° | 120.0° |
| C30 | C29 | O8 | H49 | 52.9° | 60.0° |
| C31 | C30 | C29 | H48 | 65.9° | 19.3° |
| C31 | C30 | H50 | H51 | 115.6° | 120.0° |
| O9 | C31 | C30 | H50 | 123.5° | 176.6° |
| O9 | C31 | C30 | H51 | 6.2° | 63.5° |
| H12 | C10 | C9 | H11 | 63.9° | 57.3° |
| H12 | C10 | C11 | H14 | 59.2° | 176.5° |
| H12 | C10 | C11 | H15 | 179.2° | 63.5° |
| H12 | C10 | C11 | H16 | 60.8° | 56.5° |
| H13 | C10 | C9 | H11 | 177.7° | 62.6° |
| H13 | C10 | C11 | H14 | 59.2° | 56.5° |
| H13 | C10 | C11 | H15 | 60.8° | 176.5° |
| H13 | C10 | C11 | H16 | 179.2° | 63.4° |
| H11 | C9 | C7 | H7 | 175.6° | 151.1° |
| H10 | C8 | H8 | H9 | 120.0° | 120.0° |
| H10 | C8 | C7 | H7 | 63.2° | 178.9° |
| H8 | C8 | C7 | H7 | 176.8° | 58.9° |
| H9 | C8 | C7 | H7 | 56.8° | 61.1° |
| H7 | C7 | C6 | H6 | 169.9° | 137.5° |
| H1 | C2 | C3 | H2 | 136.7° | 180.0° |
| H3 | C5 | H4 | H5 | 120.0° | 120.0° |
| H14 | C11 | H15 | H16 | 120.0° | 120.0° |
| H17 | C12 | C13 | H18 | 61.4° | 42.5° |
| H17 | C12 | C13 | H19 | 178.6° | 77.5° |
| H17 | C12 | C13 | H20 | 58.6° | 162.5° |
| H17 | C12 | C14 | H21 | 104.6° | 8.3° |
| H17 | C12 | C14 | H22 | 136.9° | 111.8° |
| H18 | C13 | H19 | H20 | 120.0° | 120.1° |
| H21 | C14 | C15 | H23 | 99.8° | 71.7° |
| H22 | C14 | C15 | H23 | 141.7° | 168.3° |
| H23 | C15 | C16 | H24 | 68.0° | 53.4° |
| H23 | C15 | C16 | H25 | 175.1° | 66.6° |
| H23 | C15 | C18 | H27 | 112.9° | 147.8° |
| H24 | C16 | C17 | H26 | 154.0° | 150.9° |
| H25 | C16 | C17 | H26 | 89.0° | 89.1° |
| H27 | C18 | C27 | H44 | 48.2° | 136.1° |
| H28 | C19 | C20 | H29 | 178.5° | 177.7° |
| H29 | C20 | C21 | H31 | 175.3° | 177.1° |
| H29 | C20 | O6 | H30 | 59.3° | 60.2° |
| H31 | C21 | C24 | H38 | 63.7° | 57.0° |
| H31 | C21 | C24 | H39 | 176.5° | 177.2° |
| H32 | C22 | H33 | H34 | 119.9° | 120.0° |
| H35 | C23 | H36 | H37 | 120.0° | 120.0° |
| H38 | C24 | C25 | H40 | 56.3° | 57.5° |
| H39 | C24 | C25 | H40 | 176.1° | 177.7° |
| H40 | C25 | C26 | H41 | 58.3° | 180.0° |
| H40 | C25 | C26 | H42 | 61.7° | 60.0° |
| H40 | C25 | C26 | H43 | 178.3° | 60.0° |
| H41 | C26 | H42 | H43 | 120.0° | 120.0° |
| H44 | C27 | C28 | H45 | 65.8° | 176.9° |
| H44 | C27 | C28 | H46 | 54.2° | 56.9° |
| H44 | C27 | C28 | H47 | 174.2° | 63.1° |
| H44 | C27 | C29 | H48 | 87.2° | 105.5° |
| H45 | C28 | H46 | H47 | 120.0° | 120.1° |
| H48 | C29 | C30 | H50 | 55.4° | 100.8° |
| H48 | C29 | C30 | H51 | 172.7° | 139.3° |
| H48 | C29 | O8 | H49 | 63.9° | 60.0° |
