A0M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C6 | sing | 1.34Å | 1.34Å | |
| O11 | C9 | doub | 1.22Å | 1.17Å | |
| C17 | C16 | sing | 1.51Å | 1.57Å | |
| C6 | C1 | sing | 1.50Å | 1.55Å | |
| C6 | C5 | doub | 1.38Å | 1.32Å | |
| C9 | C5 | sing | 1.47Å | 1.58Å | |
| C9 | C10 | sing | 1.48Å | 1.54Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.47Å | 1.53Å | |
| C16 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.43Å | Aromatic |
| O23 | C21 | doub | 1.22Å | 1.16Å | |
| C10 | C12 | sing | 1.40Å | 1.37Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | O8 | doub | 1.21Å | 1.21Å | |
| C4 | C3 | sing | 1.51Å | 1.55Å | |
| C26 | C25 | doub | 1.38Å | 1.36Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C15 | sing | 1.47Å | 1.40Å | |
| C21 | N20 | sing | 1.35Å | 1.33Å | |
| C15 | C14 | doub | 1.42Å | 1.36Å | Aromatic |
| C12 | C13 | doub | 1.36Å | 1.39Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | N20 | sing | 1.40Å | 1.49Å | |
| C22 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| N20 | C19 | sing | 1.37Å | 1.37Å | |
| C14 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | N18 | sing | 1.35Å | 1.34Å | |
| C28 | C29 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | N18 | doub | 1.30Å | 1.37Å | |
| C19 | C24 | sing | 1.48Å | 1.56Å | |
| O30 | C24 | sing | 1.35Å | 1.43Å | |
| O30 | C31 | sing | 1.45Å | 1.41Å | |
| C24 | O33 | doub | 1.21Å | 1.19Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C26 | H5 | sing | 1.08Å | 1.08Å | |
| C28 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C25 | H16 | sing | 1.08Å | 1.08Å | |
| C27 | H17 | sing | 1.08Å | 1.08Å | |
| C29 | H18 | sing | 1.08Å | 1.08Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| O7 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C6 | C1 | 117.1° | 118.7° |
| O7 | C6 | C5 | 120.2° | 118.7° |
| C6 | O7 | H24 | 109.5° | 117.0° |
| O11 | C9 | C5 | 119.2° | 120.0° |
| O11 | C9 | C10 | 119.5° | 120.0° |
| C17 | C16 | C10 | 115.6° | 120.4° |
| C17 | C16 | C15 | 124.7° | 120.3° |
| C16 | C17 | H2 | 109.5° | 109.4° |
| C16 | C17 | H3 | 109.5° | 109.5° |
| C16 | C17 | H4 | 109.5° | 109.4° |
| C1 | C6 | C5 | 122.7° | 122.6° |
| C6 | C1 | C2 | 115.0° | 111.1° |
| C6 | C1 | H7 | 108.1° | 109.2° |
| C6 | C1 | H8 | 108.0° | 109.1° |
| C6 | C5 | C9 | 117.3° | 120.0° |
| C6 | C5 | C4 | 120.3° | 120.0° |
| C5 | C9 | C10 | 121.2° | 120.0° |
| C9 | C5 | C4 | 118.8° | 120.0° |
| C9 | C10 | C16 | 119.5° | 119.8° |
| C9 | C10 | C12 | 119.2° | 119.9° |
| C1 | C2 | C3 | 114.1° | 109.3° |
| C2 | C1 | H7 | 108.0° | 109.2° |
| C2 | C1 | H8 | 108.0° | 109.2° |
| C1 | C2 | H9 | 108.3° | 109.5° |
| C1 | C2 | H10 | 108.3° | 109.5° |
| C5 | C4 | O8 | 120.8° | 121.1° |
| C5 | C4 | C3 | 119.8° | 117.7° |
| C10 | C16 | C15 | 119.7° | 119.3° |
| C16 | C10 | C12 | 121.3° | 120.2° |
| C16 | C15 | C21 | 124.2° | 121.7° |
| C16 | C15 | C14 | 118.0° | 120.1° |
| O23 | C21 | C15 | 123.4° | 121.3° |
| O23 | C21 | N20 | 116.0° | 121.3° |
| C10 | C12 | C13 | 119.2° | 120.8° |
| C10 | C12 | H15 | 120.4° | 119.6° |
| C2 | C3 | C4 | 111.6° | 107.5° |
| C3 | C2 | H9 | 108.3° | 109.5° |
| C3 | C2 | H10 | 108.3° | 109.6° |
| C2 | C3 | H11 | 109.0° | 109.9° |
| C2 | C3 | H12 | 108.9° | 109.8° |
| O8 | C4 | C3 | 119.3° | 121.2° |
| C4 | C3 | H11 | 108.9° | 109.8° |
| C4 | C3 | H12 | 109.0° | 109.9° |
| C25 | C26 | C27 | 120.2° | 120.0° |
| C26 | C25 | C22 | 119.7° | 119.9° |
| C25 | C26 | H5 | 119.9° | 120.0° |
| C26 | C25 | H16 | 120.1° | 120.1° |
| C26 | C27 | C28 | 120.3° | 120.2° |
| C27 | C26 | H5 | 119.9° | 120.0° |
| C26 | C27 | H17 | 119.9° | 119.9° |
| C25 | C22 | N20 | 119.2° | 120.1° |
| C25 | C22 | C29 | 120.2° | 119.8° |
| C22 | C25 | H16 | 120.1° | 120.0° |
| C15 | C21 | N20 | 120.7° | 117.4° |
| C21 | C15 | C14 | 117.8° | 118.1° |
| C21 | N20 | C22 | 118.1° | 119.8° |
| C21 | N20 | C19 | 120.6° | 120.3° |
| C15 | C14 | C13 | 121.4° | 119.5° |
| C15 | C14 | N18 | 121.1° | 119.1° |
| C12 | C13 | C14 | 120.3° | 120.0° |
| C12 | C13 | H1 | 119.8° | 119.9° |
| C13 | C12 | H15 | 120.4° | 119.6° |
| C27 | C28 | C29 | 119.9° | 120.1° |
| C27 | C28 | H6 | 120.1° | 120.0° |
| C28 | C27 | H17 | 119.9° | 119.9° |
| N20 | C22 | C29 | 120.5° | 120.1° |
| C22 | N20 | C19 | 121.3° | 119.9° |
| C22 | C29 | C28 | 119.6° | 119.9° |
| C22 | C29 | H18 | 120.2° | 120.0° |
| N20 | C19 | N18 | 119.2° | 123.2° |
| N20 | C19 | C24 | 122.7° | 118.4° |
| C13 | C14 | N18 | 117.5° | 121.4° |
| C14 | C13 | H1 | 119.9° | 120.0° |
| C14 | N18 | C19 | 120.7° | 121.8° |
| C29 | C28 | H6 | 120.0° | 119.9° |
| C28 | C29 | H18 | 120.2° | 120.1° |
| N18 | C19 | C24 | 118.1° | 118.5° |
| C19 | C24 | O30 | 122.7° | 120.0° |
| C19 | C24 | O33 | 117.1° | 120.0° |
| C24 | O30 | C31 | 116.6° | 117.0° |
| O30 | C24 | O33 | 120.1° | 120.0° |
| O30 | C31 | C32 | 113.2° | 109.5° |
| O30 | C31 | H19 | 108.5° | 109.5° |
| O30 | C31 | H20 | 108.5° | 109.5° |
| C32 | C31 | H19 | 108.5° | 109.5° |
| C32 | C31 | H20 | 108.5° | 109.5° |
| C31 | C32 | H21 | 109.5° | 109.5° |
| C31 | C32 | H22 | 109.5° | 109.4° |
| C31 | C32 | H23 | 109.5° | 109.5° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H2 | C17 | H4 | 109.5° | 109.5° |
| H3 | C17 | H4 | 109.5° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.2° |
| H9 | C2 | H10 | 109.5° | 109.5° |
| H11 | C3 | H12 | 109.5° | 109.8° |
| H19 | C31 | H20 | 109.5° | 109.4° |
| H21 | C32 | H22 | 109.5° | 109.5° |
| H21 | C32 | H23 | 109.4° | 109.5° |
| H22 | C32 | H23 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C6 | C1 | C5 | 176.9° | 179.9° |
| O7 | C6 | C5 | C9 | 20.9° | 0.6° |
| O7 | C6 | C1 | C2 | 162.7° | 158.0° |
| O7 | C6 | C5 | C4 | 179.1° | 179.5° |
| O7 | C6 | C1 | H7 | 41.9° | 37.5° |
| O7 | C6 | C1 | H8 | 76.5° | 81.7° |
| O11 | C9 | C5 | C6 | 23.5° | 66.4° |
| O11 | C9 | C5 | C10 | 178.6° | 180.0° |
| O11 | C9 | C5 | C4 | 177.9° | 113.6° |
| O11 | C9 | C10 | C16 | 89.3° | 2.3° |
| O11 | C9 | C10 | C12 | 90.4° | 178.1° |
| C17 | C16 | C10 | C9 | 0.2° | 0.3° |
| C17 | C16 | C10 | C15 | 179.8° | 180.0° |
| C17 | C16 | C10 | C12 | 179.9° | 180.0° |
| C17 | C16 | C15 | C21 | 0.1° | 0.3° |
| C17 | C16 | C15 | C14 | 179.8° | 179.5° |
| C16 | C17 | H2 | H3 | 120.0° | 120.0° |
| C16 | C17 | H2 | H4 | 120.0° | 119.9° |
| C16 | C17 | H3 | H4 | 120.0° | 120.0° |
| C1 | C6 | C5 | C9 | 155.9° | 179.5° |
| C6 | C1 | C2 | H7 | 120.8° | 120.4° |
| C6 | C1 | C2 | H8 | 120.8° | 120.3° |
| C1 | C6 | C5 | C4 | 2.3° | 0.5° |
| C6 | C1 | C2 | C3 | 42.4° | 53.4° |
| C6 | C1 | H7 | H8 | 117.5° | 119.2° |
| C6 | C1 | C2 | H9 | 78.3° | 173.3° |
| C6 | C1 | C2 | H10 | 163.1° | 66.6° |
| C1 | C6 | O7 | H24 | 166.5° | 175.4° |
| C6 | C5 | C9 | C4 | 158.5° | 180.0° |
| C6 | C5 | C9 | C10 | 155.1° | 113.5° |
| C5 | C6 | C1 | C2 | 20.4° | 22.0° |
| C6 | C5 | C4 | O8 | 172.4° | 168.3° |
| C6 | C5 | C4 | C3 | 6.8° | 11.7° |
| C5 | C6 | C1 | H7 | 141.2° | 142.4° |
| C5 | C6 | C1 | H8 | 100.4° | 98.4° |
| C5 | C6 | O7 | H24 | 10.5° | 4.5° |
| C5 | C9 | C10 | C16 | 92.1° | 177.8° |
| C5 | C9 | C10 | C12 | 88.2° | 1.9° |
| C9 | C5 | C4 | O8 | 29.7° | 11.8° |
| C9 | C5 | C4 | C3 | 151.1° | 168.2° |
| C10 | C9 | C5 | C4 | 3.5° | 66.4° |
| C9 | C10 | C16 | C12 | 179.7° | 179.7° |
| C9 | C10 | C16 | C15 | 179.6° | 179.7° |
| C9 | C10 | C12 | C13 | 179.6° | 179.9° |
| C9 | C10 | C12 | H15 | 0.4° | 0.1° |
| C1 | C2 | C3 | H9 | 120.7° | 119.9° |
| C1 | C2 | C3 | H10 | 120.7° | 119.9° |
| C1 | C2 | C3 | C4 | 45.4° | 63.3° |
| C2 | C1 | H7 | H8 | 117.4° | 119.2° |
| C1 | C2 | H9 | H10 | 117.9° | 120.1° |
| C1 | C2 | C3 | H11 | 165.7° | 56.2° |
| C1 | C2 | C3 | H12 | 75.0° | 177.2° |
| C5 | C4 | C3 | C2 | 28.3° | 42.7° |
| C5 | C4 | O8 | C3 | 179.2° | 180.0° |
| C5 | C4 | C3 | H11 | 148.6° | 76.9° |
| C5 | C4 | C3 | H12 | 92.0° | 162.2° |
| C10 | C16 | C15 | C21 | 179.9° | 179.7° |
| C10 | C16 | C15 | C14 | 0.0° | 0.5° |
| C16 | C10 | C12 | C13 | 0.1° | 0.3° |
| C10 | C16 | C17 | H2 | 90.1° | 86.1° |
| C10 | C16 | C17 | H3 | 149.9° | 153.9° |
| C10 | C16 | C17 | H4 | 29.9° | 33.9° |
| C16 | C10 | C12 | H15 | 179.9° | 179.7° |
| C16 | C15 | C21 | O23 | 0.3° | 0.8° |
| C15 | C16 | C10 | C12 | 0.1° | 0.0° |
| C16 | C15 | C21 | C14 | 179.8° | 179.2° |
| C16 | C15 | C21 | N20 | 179.9° | 179.2° |
| C16 | C15 | C14 | C13 | 0.1° | 0.8° |
| C16 | C15 | C14 | N18 | 180.0° | 179.2° |
| C15 | C16 | C17 | H2 | 90.1° | 93.9° |
| C15 | C16 | C17 | H3 | 29.9° | 26.1° |
| C15 | C16 | C17 | H4 | 149.9° | 146.1° |
| O23 | C21 | C15 | N20 | 179.6° | 180.0° |
| O23 | C21 | C15 | C14 | 179.8° | 180.0° |
| O23 | C21 | N20 | C22 | 0.5° | 0.0° |
| O23 | C21 | N20 | C19 | 179.7° | 180.0° |
| C10 | C12 | C13 | H15 | 180.0° | 180.0° |
| C10 | C12 | C13 | C14 | 0.0° | 0.0° |
| C10 | C12 | C13 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | O8 | 150.9° | 137.3° |
| C2 | C3 | C4 | H11 | 120.3° | 119.5° |
| C2 | C3 | C4 | H12 | 120.3° | 119.5° |
| C3 | C2 | C1 | H7 | 163.2° | 173.8° |
| C3 | C2 | C1 | H8 | 78.4° | 66.9° |
| C3 | C2 | H9 | H10 | 117.9° | 120.2° |
| C2 | C3 | H11 | H12 | 119.0° | 121.0° |
| O8 | C4 | C3 | H11 | 30.6° | 103.1° |
| O8 | C4 | C3 | H12 | 88.8° | 17.8° |
| C4 | C3 | C2 | H9 | 75.3° | 176.8° |
| C4 | C3 | C2 | H10 | 166.0° | 56.7° |
| C4 | C3 | H11 | H12 | 119.1° | 121.0° |
| C25 | C26 | C27 | H5 | 180.0° | 179.9° |
| C26 | C25 | C22 | H16 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.0° | 0.4° |
| C26 | C25 | C22 | N20 | 180.0° | 180.0° |
| C26 | C25 | C22 | C29 | 0.6° | 0.2° |
| C25 | C26 | C27 | H17 | 180.0° | 180.0° |
| C27 | C26 | C25 | C22 | 0.3° | 0.1° |
| C26 | C27 | C28 | H17 | 180.0° | 179.6° |
| C26 | C27 | C28 | C29 | 0.1° | 0.4° |
| C26 | C27 | C28 | H6 | 179.9° | 179.7° |
| C27 | C26 | C25 | H16 | 179.7° | 179.9° |
| C25 | C22 | N20 | C21 | 88.3° | 94.9° |
| C25 | C22 | N20 | C29 | 179.4° | 179.8° |
| C25 | C22 | N20 | C19 | 91.0° | 85.1° |
| C25 | C22 | C29 | C28 | 0.5° | 0.2° |
| C22 | C25 | C26 | H5 | 179.7° | 180.0° |
| C25 | C22 | C29 | H18 | 179.5° | 179.7° |
| C15 | C21 | N20 | C22 | 179.9° | 180.0° |
| C15 | C21 | N20 | C19 | 0.6° | 0.0° |
| C21 | C15 | C14 | C13 | 180.0° | 180.0° |
| C21 | C15 | C14 | N18 | 0.1° | 0.0° |
| N20 | C21 | C15 | C14 | 0.2° | 0.0° |
| C21 | N20 | C22 | C19 | 179.3° | 180.0° |
| C21 | N20 | C22 | C29 | 91.1° | 84.8° |
| C21 | N20 | C19 | N18 | 0.9° | 0.0° |
| C21 | N20 | C19 | C24 | 179.4° | 180.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.5° |
| C15 | C14 | C13 | N18 | 179.9° | 180.0° |
| C15 | C14 | N18 | C19 | 0.4° | 0.0° |
| C15 | C14 | C13 | H1 | 179.9° | 179.5° |
| C12 | C13 | C14 | H1 | 180.0° | 180.0° |
| C12 | C13 | C14 | N18 | 180.0° | 179.5° |
| C27 | C28 | C29 | C22 | 0.1° | 0.1° |
| C27 | C28 | C29 | H6 | 180.0° | 179.9° |
| C28 | C27 | C26 | H5 | 180.0° | 179.7° |
| C27 | C28 | C29 | H18 | 179.9° | 180.0° |
| N20 | C22 | C29 | C28 | 179.9° | 180.0° |
| C22 | N20 | C19 | N18 | 179.8° | 180.0° |
| C22 | N20 | C19 | C24 | 1.4° | 0.0° |
| N20 | C22 | C25 | H16 | 0.0° | 0.0° |
| N20 | C22 | C29 | H18 | 0.1° | 0.0° |
| C29 | C22 | N20 | C19 | 89.6° | 95.2° |
| C22 | C29 | C28 | H18 | 180.0° | 179.9° |
| C22 | C29 | C28 | H6 | 179.9° | 180.0° |
| C29 | C22 | C25 | H16 | 179.4° | 179.8° |
| N20 | C19 | N18 | C14 | 0.8° | 0.0° |
| N20 | C19 | N18 | C24 | 178.5° | 180.0° |
| N20 | C19 | C24 | O30 | 58.8° | 179.1° |
| N20 | C19 | C24 | O33 | 122.4° | 0.9° |
| C13 | C14 | N18 | C19 | 179.7° | 180.0° |
| C14 | C13 | C12 | H15 | 180.0° | 180.0° |
| C14 | N18 | C19 | C24 | 179.3° | 180.0° |
| N18 | C14 | C13 | H1 | 0.0° | 0.5° |
| C29 | C28 | C27 | H17 | 179.9° | 180.0° |
| N18 | C19 | C24 | O30 | 122.8° | 0.9° |
| N18 | C19 | C24 | O33 | 56.0° | 179.1° |
| C19 | C24 | O30 | O33 | 178.8° | 180.0° |
| C19 | C24 | O30 | C31 | 117.9° | 180.0° |
| C24 | O30 | C31 | C32 | 73.1° | 180.0° |
| C24 | O30 | C31 | H19 | 166.3° | 59.9° |
| C24 | O30 | C31 | H20 | 47.4° | 60.0° |
| C31 | O30 | C24 | O33 | 63.4° | 0.0° |
| O30 | C31 | C32 | H19 | 120.6° | 120.0° |
| O30 | C31 | C32 | H20 | 120.5° | 120.0° |
| O30 | C31 | H19 | H20 | 118.3° | 120.0° |
| O30 | C31 | C32 | H21 | 180.0° | 60.0° |
| O30 | C31 | C32 | H22 | 60.0° | 60.0° |
| O30 | C31 | C32 | H23 | 60.0° | 180.0° |
| C32 | C31 | H19 | H20 | 118.3° | 119.9° |
| C31 | C32 | H21 | H22 | 120.0° | 119.9° |
| C31 | C32 | H21 | H23 | 120.0° | 120.0° |
| C31 | C32 | H22 | H23 | 120.0° | 120.0° |
| H1 | C13 | C12 | H15 | 0.0° | 0.0° |
| H2 | C17 | H3 | H4 | 120.0° | 120.1° |
| H5 | C26 | C25 | H16 | 0.4° | 0.0° |
| H5 | C26 | C27 | H17 | 0.0° | 0.1° |
| H6 | C28 | C27 | H17 | 0.1° | 0.1° |
| H6 | C28 | C29 | H18 | 0.1° | 0.1° |
| H7 | C1 | C2 | H9 | 42.6° | 66.2° |
| H7 | C1 | C2 | H10 | 76.1° | 53.9° |
| H8 | C1 | C2 | H9 | 160.9° | 53.0° |
| H8 | C1 | C2 | H10 | 42.3° | 173.1° |
| H9 | C2 | C3 | H11 | 45.0° | 63.7° |
| H9 | C2 | C3 | H12 | 164.4° | 57.3° |
| H10 | C2 | C3 | H11 | 73.6° | 176.2° |
| H10 | C2 | C3 | H12 | 45.7° | 62.9° |
| H19 | C31 | C32 | H21 | 59.4° | 60.1° |
| H19 | C31 | C32 | H22 | 179.5° | 180.0° |
| H19 | C31 | C32 | H23 | 60.6° | 60.0° |
| H20 | C31 | C32 | H21 | 59.5° | 180.0° |
| H20 | C31 | C32 | H22 | 60.6° | 60.1° |
| H20 | C31 | C32 | H23 | 179.5° | 59.9° |
| H21 | C32 | H22 | H23 | 120.0° | 120.1° |
