A1H1W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.39Å | |
| O1 | C2 | sing | 1.43Å | 1.41Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | N1 | sing | 1.47Å | 1.45Å | |
| N1 | N2 | sing | 1.29Å | 1.34Å | Aromatic |
| N3 | N2 | doub | 1.29Å | 1.31Å | Aromatic |
| C4 | N3 | sing | 1.34Å | 1.35Å | Aromatic |
| C5 | C4 | sing | 1.48Å | 1.48Å | |
| C6 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
| F1 | C7 | sing | 1.35Å | 1.33Å | |
| C8 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.36Å | Aromatic |
| F2 | C9 | sing | 1.35Å | 1.35Å | |
| C9 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| F3 | C10 | sing | 1.35Å | 1.32Å | |
| C11 | C4 | doub | 1.36Å | 1.36Å | Aromatic |
| C2 | C12 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.51Å | 1.54Å | |
| C13 | N4 | sing | 1.35Å | 1.37Å | |
| C14 | N4 | sing | 1.47Å | 1.50Å | |
| C15 | C14 | sing | 1.53Å | 1.56Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | sing | 1.53Å | 1.58Å | |
| C17 | C18 | sing | 1.53Å | 1.49Å | |
| C19 | C14 | sing | 1.53Å | 1.55Å | |
| O2 | C19 | sing | 1.43Å | 1.41Å | |
| C20 | N4 | sing | 1.40Å | 1.43Å | |
| C21 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | CL1 | sing | 1.74Å | 1.74Å | |
| C23 | C22 | doub | 1.38Å | 1.37Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.37Å | Aromatic |
| C24 | CL2 | sing | 1.74Å | 1.77Å | |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| O3 | C13 | doub | 1.21Å | 1.21Å | |
| O4 | C12 | sing | 1.43Å | 1.44Å | |
| O4 | C26 | sing | 1.43Å | 1.45Å | |
| C27 | C26 | sing | 1.53Å | 1.57Å | |
| O5 | C27 | sing | 1.43Å | 1.40Å | |
| C28 | C26 | sing | 1.53Å | 1.54Å | |
| O6 | C28 | sing | 1.43Å | 1.44Å | |
| C28 | C3 | sing | 1.53Å | 1.56Å | |
| C11 | N1 | sing | 1.35Å | 1.32Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C25 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C10 | doub | 1.39Å | 1.37Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| O2 | H20 | sing | 0.97Å | 0.95Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H23 | sing | 1.08Å | 1.08Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| O5 | H27 | sing | 0.97Å | 0.95Å | |
| O6 | H29 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | C2 | 116.6° | 114.0° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C2 | C3 | 109.9° | 109.5° |
| O1 | C2 | C12 | 107.3° | 109.5° |
| O1 | C2 | H4 | 111.5° | 109.5° |
| C2 | C3 | N1 | 113.4° | 109.5° |
| C3 | C2 | C12 | 108.5° | 109.2° |
| C2 | C3 | C28 | 108.9° | 109.0° |
| C3 | C2 | H4 | 109.9° | 109.6° |
| C2 | C3 | H5 | 107.6° | 109.6° |
| C3 | N1 | N2 | 120.3° | 125.7° |
| N1 | C3 | C28 | 111.0° | 109.5° |
| C3 | N1 | C11 | 129.7° | 125.8° |
| N1 | C3 | H5 | 108.5° | 109.6° |
| N1 | N2 | N3 | 107.5° | 110.5° |
| N2 | N1 | C11 | 110.0° | 108.5° |
| N2 | N3 | C4 | 108.8° | 108.8° |
| N3 | C4 | C5 | 122.3° | 126.9° |
| N3 | C4 | C11 | 107.2° | 106.2° |
| C4 | C5 | C6 | 120.1° | 120.1° |
| C4 | C5 | C8 | 120.0° | 120.1° |
| C5 | C4 | C11 | 130.5° | 126.9° |
| C5 | C6 | C7 | 119.5° | 119.9° |
| C6 | C5 | C8 | 119.8° | 119.8° |
| C5 | C6 | H6 | 120.3° | 120.0° |
| C6 | C7 | F1 | 120.5° | 120.0° |
| C6 | C7 | C10 | 121.0° | 120.0° |
| C7 | C6 | H6 | 120.3° | 120.0° |
| F1 | C7 | C10 | 118.3° | 120.0° |
| C5 | C8 | C9 | 118.4° | 119.9° |
| C5 | C8 | H7 | 120.8° | 120.0° |
| C8 | C9 | F2 | 118.2° | 119.9° |
| C8 | C9 | C10 | 122.1° | 120.1° |
| C9 | C8 | H7 | 120.8° | 120.1° |
| F2 | C9 | C10 | 119.7° | 120.0° |
| C9 | C10 | F3 | 121.1° | 119.9° |
| C9 | C10 | C7 | 119.1° | 120.2° |
| F3 | C10 | C7 | 119.9° | 119.9° |
| C4 | C11 | N1 | 106.3° | 106.0° |
| C4 | C11 | H8 | 126.9° | 127.0° |
| C2 | C12 | C13 | 113.1° | 109.5° |
| C2 | C12 | O4 | 114.5° | 109.4° |
| C12 | C2 | H4 | 109.6° | 109.5° |
| C2 | C12 | H9 | 109.1° | 109.4° |
| C12 | C13 | N4 | 118.6° | 120.1° |
| C12 | C13 | O3 | 119.3° | 120.0° |
| C13 | C12 | O4 | 100.4° | 109.5° |
| C13 | C12 | H9 | 109.0° | 109.5° |
| C13 | N4 | C14 | 119.0° | 120.0° |
| C13 | N4 | C20 | 120.7° | 120.0° |
| N4 | C13 | O3 | 122.1° | 120.0° |
| N4 | C14 | C15 | 111.1° | 109.5° |
| N4 | C14 | C19 | 110.9° | 109.5° |
| C14 | N4 | C20 | 120.2° | 120.0° |
| N4 | C14 | H10 | 108.8° | 109.5° |
| C14 | C15 | C16 | 108.1° | 109.5° |
| C15 | C14 | C19 | 110.0° | 109.5° |
| C14 | C15 | H12 | 109.8° | 109.5° |
| C14 | C15 | H11 | 109.8° | 109.5° |
| C15 | C14 | H10 | 108.0° | 109.4° |
| C15 | C16 | C17 | 108.5° | 109.5° |
| C16 | C15 | H12 | 109.8° | 109.4° |
| C16 | C15 | H11 | 109.8° | 109.5° |
| C15 | C16 | H13 | 109.7° | 109.5° |
| C15 | C16 | H14 | 109.7° | 109.5° |
| C16 | C17 | C18 | 111.1° | 109.5° |
| C16 | C17 | H15 | 109.1° | 109.5° |
| C16 | C17 | H16 | 109.1° | 109.5° |
| C17 | C16 | H13 | 109.7° | 109.4° |
| C17 | C16 | H14 | 109.7° | 109.5° |
| C17 | C18 | C19 | 112.1° | 109.5° |
| C18 | C17 | H15 | 109.1° | 109.5° |
| C18 | C17 | H16 | 109.0° | 109.4° |
| C17 | C18 | H17 | 108.8° | 109.5° |
| C17 | C18 | H18 | 108.8° | 109.5° |
| C14 | C19 | O2 | 108.8° | 109.5° |
| C14 | C19 | C18 | 109.6° | 109.4° |
| C19 | C14 | H10 | 108.1° | 109.5° |
| C14 | C19 | H19 | 108.4° | 109.5° |
| O2 | C19 | C18 | 110.9° | 109.5° |
| O2 | C19 | H19 | 110.3° | 109.5° |
| C19 | O2 | H20 | 109.5° | 113.9° |
| N4 | C20 | C21 | 120.1° | 120.0° |
| N4 | C20 | C25 | 119.5° | 120.1° |
| C20 | C21 | C22 | 117.3° | 119.9° |
| C21 | C20 | C25 | 120.3° | 119.9° |
| C20 | C21 | H21 | 121.3° | 120.0° |
| C21 | C22 | CL1 | 118.5° | 120.0° |
| C21 | C22 | C23 | 122.9° | 120.1° |
| C22 | C21 | H21 | 121.3° | 120.0° |
| CL1 | C22 | C23 | 118.5° | 120.0° |
| C22 | C23 | C24 | 118.6° | 120.2° |
| C22 | C23 | H22 | 120.7° | 119.9° |
| C23 | C24 | CL2 | 120.4° | 120.0° |
| C23 | C24 | C25 | 121.8° | 120.0° |
| C24 | C23 | H22 | 120.7° | 119.9° |
| CL2 | C24 | C25 | 117.8° | 120.0° |
| C24 | C25 | C20 | 118.8° | 120.0° |
| C24 | C25 | H23 | 120.6° | 120.1° |
| C12 | O4 | C26 | 109.5° | 114.1° |
| O4 | C12 | H9 | 110.5° | 109.5° |
| O4 | C26 | C27 | 106.6° | 109.5° |
| O4 | C26 | C28 | 110.9° | 109.4° |
| O4 | C26 | H24 | 110.2° | 109.5° |
| C26 | C27 | O5 | 112.4° | 109.5° |
| C27 | C26 | C28 | 111.6° | 109.5° |
| C27 | C26 | H24 | 108.6° | 109.5° |
| C26 | C27 | H25 | 108.7° | 109.4° |
| C26 | C27 | H26 | 108.7° | 109.5° |
| O5 | C27 | H25 | 108.7° | 109.5° |
| O5 | C27 | H26 | 108.7° | 109.5° |
| C27 | O5 | H27 | 109.5° | 114.0° |
| C26 | C28 | O6 | 109.2° | 109.5° |
| C26 | C28 | C3 | 109.5° | 109.2° |
| C28 | C26 | H24 | 108.9° | 109.4° |
| C26 | C28 | H28 | 109.1° | 109.5° |
| O6 | C28 | C3 | 109.7° | 109.6° |
| O6 | C28 | H28 | 110.5° | 109.5° |
| C28 | O6 | H29 | 109.5° | 114.1° |
| C3 | C28 | H28 | 108.9° | 109.5° |
| C28 | C3 | H5 | 107.1° | 109.5° |
| N1 | C11 | H8 | 126.8° | 127.0° |
| C19 | C18 | H17 | 108.8° | 109.5° |
| C19 | C18 | H18 | 108.8° | 109.5° |
| C18 | C19 | H19 | 108.8° | 109.5° |
| C20 | C25 | H23 | 120.6° | 120.0° |
| H12 | C15 | H11 | 109.5° | 109.5° |
| H15 | C17 | H16 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H1 | 109.5° | 109.4° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H13 | C16 | H14 | 109.5° | 109.5° |
| H17 | C18 | H18 | 109.5° | 109.4° |
| H25 | C27 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O1 | C2 | C3 | 112.5° | 95.5° |
| C1 | O1 | C2 | C12 | 129.7° | 144.8° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H1 | 120.0° | 120.0° |
| O1 | C1 | H3 | H1 | 120.0° | 120.0° |
| C1 | O1 | C2 | H4 | 9.6° | 24.7° |
| O1 | C2 | C3 | C12 | 117.1° | 119.9° |
| O1 | C2 | C3 | H4 | 123.1° | 120.1° |
| O1 | C2 | C3 | N1 | 64.7° | 63.2° |
| O1 | C2 | C12 | H4 | 121.3° | 120.1° |
| O1 | C2 | C12 | C13 | 69.3° | 62.4° |
| O1 | C2 | C12 | O4 | 176.5° | 177.5° |
| O1 | C2 | C3 | C28 | 171.1° | 176.9° |
| C2 | O1 | C1 | H2 | 180.0° | 172.3° |
| C2 | O1 | C1 | H3 | 60.0° | 67.7° |
| C2 | O1 | C1 | H1 | 60.0° | 52.3° |
| O1 | C2 | C3 | H5 | 55.3° | 57.1° |
| O1 | C2 | C12 | H9 | 52.1° | 57.6° |
| C2 | C3 | N1 | C28 | 123.0° | 119.5° |
| C2 | C3 | N1 | H5 | 119.5° | 120.3° |
| C2 | C3 | N1 | N2 | 124.6° | 95.5° |
| C3 | C2 | C12 | H4 | 120.0° | 120.0° |
| C3 | C2 | C12 | C13 | 171.9° | 177.6° |
| C3 | C2 | C12 | O4 | 57.7° | 57.6° |
| C2 | C3 | C28 | C26 | 56.5° | 57.0° |
| C2 | C3 | C28 | O6 | 63.3° | 62.9° |
| C2 | C3 | C28 | H5 | 116.1° | 119.9° |
| C2 | C3 | N1 | C11 | 55.5° | 84.3° |
| C2 | C3 | C28 | H28 | 175.7° | 176.9° |
| C3 | C2 | C12 | H9 | 66.6° | 62.3° |
| C3 | N1 | N2 | C11 | 179.9° | 179.8° |
| C3 | N1 | N2 | N3 | 179.7° | 180.0° |
| C3 | N1 | C11 | C4 | 177.7° | 179.7° |
| N1 | C3 | C2 | C12 | 178.2° | 176.8° |
| N1 | C3 | C28 | C26 | 177.9° | 176.8° |
| N1 | C3 | C28 | O6 | 62.3° | 56.9° |
| N1 | C3 | C28 | H5 | 118.3° | 120.3° |
| N1 | C3 | C28 | H28 | 58.7° | 63.3° |
| N1 | C3 | C2 | H4 | 58.4° | 56.9° |
| C3 | N1 | C11 | H8 | 2.3° | 0.0° |
| N1 | N2 | N3 | C4 | 1.8° | 0.4° |
| N2 | N1 | C11 | C4 | 2.1° | 0.0° |
| N2 | N1 | C3 | C28 | 112.3° | 145.0° |
| N2 | N1 | C3 | H5 | 5.1° | 24.8° |
| N2 | N1 | C11 | H8 | 177.9° | 179.8° |
| N2 | N3 | C4 | C5 | 176.7° | 180.0° |
| N2 | N3 | C4 | C11 | 3.1° | 0.4° |
| N3 | N2 | N1 | C11 | 0.2° | 0.2° |
| N3 | C4 | C5 | C11 | 179.7° | 179.5° |
| N3 | C4 | C5 | C6 | 16.4° | 0.1° |
| N3 | C4 | C5 | C8 | 159.0° | 179.7° |
| N3 | C4 | C11 | N1 | 3.2° | 0.3° |
| N3 | C4 | C11 | H8 | 176.8° | 180.0° |
| C4 | C5 | C6 | C8 | 175.5° | 179.8° |
| C4 | C5 | C6 | C7 | 175.5° | 180.0° |
| C4 | C5 | C8 | C9 | 179.4° | 180.0° |
| C5 | C4 | C11 | N1 | 176.6° | 179.9° |
| C4 | C5 | C6 | H6 | 4.6° | 0.1° |
| C4 | C5 | C8 | H7 | 0.6° | 0.1° |
| C5 | C4 | C11 | H8 | 3.4° | 0.4° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | F1 | 178.4° | 180.0° |
| C6 | C5 | C8 | C9 | 3.9° | 0.2° |
| C6 | C5 | C4 | C11 | 163.8° | 179.4° |
| C5 | C6 | C7 | C10 | 3.7° | 0.1° |
| C6 | C5 | C8 | H7 | 176.1° | 179.8° |
| C6 | C7 | F1 | C10 | 174.9° | 179.9° |
| C7 | C6 | C5 | C8 | 0.0° | 0.2° |
| C6 | C7 | C10 | C9 | 3.3° | 0.4° |
| C6 | C7 | C10 | F3 | 177.6° | 180.0° |
| F1 | C7 | C10 | C9 | 178.2° | 179.7° |
| F1 | C7 | C10 | F3 | 2.8° | 0.0° |
| F1 | C7 | C6 | H6 | 1.5° | 0.1° |
| C5 | C8 | C9 | H7 | 180.0° | 179.9° |
| C5 | C8 | C9 | F2 | 179.4° | 180.0° |
| C5 | C8 | C9 | C10 | 4.4° | 0.1° |
| C8 | C5 | C4 | C11 | 20.7° | 0.7° |
| C8 | C5 | C6 | H6 | 180.0° | 179.7° |
| C8 | C9 | F2 | C10 | 176.3° | 180.0° |
| C8 | C9 | C10 | F3 | 178.2° | 180.0° |
| C8 | C9 | C10 | C7 | 0.8° | 0.3° |
| F2 | C9 | C10 | F3 | 2.0° | 0.0° |
| F2 | C9 | C10 | C7 | 177.0° | 179.7° |
| F2 | C9 | C8 | H7 | 0.6° | 0.0° |
| C9 | C10 | F3 | C7 | 179.0° | 179.7° |
| C10 | C9 | C8 | H7 | 175.6° | 180.0° |
| C4 | C11 | N1 | H8 | 180.0° | 179.7° |
| C2 | C12 | C13 | O4 | 122.4° | 120.0° |
| C2 | C12 | C13 | H9 | 121.5° | 120.0° |
| C2 | C12 | C13 | N4 | 161.0° | 102.2° |
| C2 | C12 | C13 | O3 | 22.0° | 77.8° |
| C2 | C12 | O4 | H9 | 123.6° | 119.9° |
| C2 | C12 | O4 | C26 | 60.0° | 61.1° |
| C12 | C2 | C3 | C28 | 54.0° | 57.0° |
| C12 | C2 | C3 | H5 | 61.8° | 62.9° |
| C12 | C13 | N4 | O3 | 176.8° | 180.0° |
| C12 | C13 | N4 | C14 | 167.5° | 8.1° |
| C12 | C13 | N4 | C20 | 9.2° | 171.9° |
| C13 | C12 | O4 | H9 | 114.9° | 120.1° |
| C13 | C12 | O4 | C26 | 178.6° | 178.9° |
| C13 | C12 | C2 | H4 | 51.9° | 57.7° |
| C13 | N4 | C14 | C20 | 176.7° | 180.0° |
| C13 | N4 | C14 | C15 | 138.0° | 122.9° |
| C13 | N4 | C14 | C19 | 99.4° | 117.1° |
| C13 | N4 | C20 | C21 | 85.7° | 4.5° |
| N4 | C13 | C12 | O4 | 76.5° | 137.8° |
| C13 | N4 | C20 | C25 | 97.4° | 175.8° |
| N4 | C13 | C12 | H9 | 39.5° | 17.8° |
| C13 | N4 | C14 | H10 | 19.3° | 2.9° |
| N4 | C14 | C15 | C19 | 123.1° | 120.0° |
| N4 | C14 | C15 | H10 | 119.2° | 120.0° |
| N4 | C14 | C15 | C16 | 175.4° | 180.0° |
| N4 | C14 | C19 | H10 | 119.1° | 120.0° |
| N4 | C14 | C19 | O2 | 56.5° | 60.0° |
| C14 | N4 | C20 | C21 | 97.6° | 175.5° |
| C14 | N4 | C13 | O3 | 9.3° | 171.9° |
| N4 | C14 | C19 | C18 | 177.8° | 180.0° |
| C14 | N4 | C20 | C25 | 79.3° | 4.1° |
| N4 | C14 | C15 | H12 | 55.6° | 60.0° |
| N4 | C14 | C15 | H11 | 64.8° | 60.0° |
| N4 | C14 | C19 | H19 | 63.5° | 60.0° |
| C14 | C15 | C16 | H12 | 119.8° | 120.0° |
| C14 | C15 | C16 | H11 | 119.8° | 120.0° |
| C14 | C15 | C16 | C17 | 59.9° | 60.0° |
| C15 | C14 | C19 | H10 | 117.7° | 120.0° |
| C15 | C14 | C19 | O2 | 179.7° | 180.0° |
| C15 | C14 | N4 | C20 | 45.3° | 57.2° |
| C15 | C14 | C19 | C18 | 58.9° | 60.0° |
| C14 | C15 | H12 | H11 | 120.6° | 120.0° |
| C14 | C15 | C16 | H13 | 60.0° | 60.0° |
| C14 | C15 | C16 | H14 | 179.7° | 180.0° |
| C15 | C14 | C19 | H19 | 59.7° | 60.0° |
| C15 | C16 | C17 | H13 | 119.8° | 120.0° |
| C15 | C16 | C17 | H14 | 119.9° | 120.0° |
| C15 | C16 | C17 | C18 | 58.7° | 60.0° |
| C16 | C15 | C14 | C19 | 61.5° | 60.0° |
| C16 | C15 | H12 | H11 | 120.7° | 120.0° |
| C15 | C16 | C17 | H15 | 178.9° | 180.0° |
| C15 | C16 | C17 | H16 | 61.6° | 60.0° |
| C16 | C15 | C14 | H10 | 56.2° | 60.0° |
| C15 | C16 | H13 | H14 | 120.4° | 120.1° |
| C16 | C17 | C18 | H15 | 120.3° | 120.0° |
| C16 | C17 | C18 | H16 | 120.3° | 120.0° |
| C16 | C17 | C18 | C19 | 57.3° | 60.0° |
| C17 | C16 | C15 | H12 | 179.6° | 180.0° |
| C17 | C16 | C15 | H11 | 59.9° | 60.0° |
| C16 | C17 | H15 | H16 | 119.3° | 120.0° |
| C17 | C16 | H13 | H14 | 120.5° | 120.0° |
| C16 | C17 | C18 | H17 | 63.1° | 60.0° |
| C16 | C17 | C18 | H18 | 177.6° | 180.0° |
| C17 | C18 | C19 | C14 | 57.1° | 60.0° |
| C17 | C18 | C19 | O2 | 177.2° | 180.0° |
| C17 | C18 | C19 | H17 | 120.4° | 120.0° |
| C17 | C18 | C19 | H18 | 120.4° | 120.0° |
| C18 | C17 | H15 | H16 | 119.2° | 120.0° |
| C18 | C17 | C16 | H13 | 61.1° | 60.0° |
| C18 | C17 | C16 | H14 | 178.5° | 180.0° |
| C17 | C18 | H17 | H18 | 118.8° | 120.0° |
| C17 | C18 | C19 | H19 | 61.3° | 60.0° |
| C14 | C19 | O2 | C18 | 120.6° | 120.0° |
| C14 | C19 | O2 | H19 | 118.8° | 120.0° |
| C19 | C14 | N4 | C20 | 77.3° | 62.9° |
| C14 | C19 | C18 | H19 | 118.4° | 120.0° |
| C19 | C14 | C15 | H12 | 178.7° | 180.0° |
| C19 | C14 | C15 | H11 | 58.3° | 60.0° |
| C14 | C19 | C18 | H17 | 63.3° | 60.0° |
| C14 | C19 | C18 | H18 | 177.5° | 180.0° |
| C14 | C19 | O2 | H20 | 180.0° | 174.4° |
| O2 | C19 | C18 | H19 | 121.5° | 120.0° |
| O2 | C19 | C14 | H10 | 62.6° | 60.0° |
| O2 | C19 | C18 | H17 | 56.8° | 60.0° |
| O2 | C19 | C18 | H18 | 62.4° | 60.0° |
| N4 | C20 | C21 | C25 | 176.9° | 179.7° |
| N4 | C20 | C21 | C22 | 179.2° | 179.9° |
| N4 | C20 | C25 | C24 | 179.0° | 179.8° |
| C20 | N4 | C13 | O3 | 173.9° | 8.0° |
| N4 | C20 | C21 | H21 | 0.8° | 0.0° |
| C20 | N4 | C14 | H10 | 164.0° | 177.1° |
| N4 | C20 | C25 | H23 | 1.1° | 0.4° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | CL1 | 178.6° | 180.0° |
| C20 | C21 | C22 | C23 | 5.5° | 0.1° |
| C21 | C20 | C25 | C24 | 2.0° | 0.6° |
| C21 | C20 | C25 | H23 | 178.0° | 179.9° |
| C21 | C22 | CL1 | C23 | 176.0° | 179.9° |
| C21 | C22 | C23 | C24 | 5.2° | 0.1° |
| C22 | C21 | C20 | C25 | 3.9° | 0.2° |
| C21 | C22 | C23 | H22 | 174.8° | 180.0° |
| CL1 | C22 | C23 | C24 | 179.0° | 180.0° |
| CL1 | C22 | C21 | H21 | 1.3° | 0.1° |
| CL1 | C22 | C23 | H22 | 1.0° | 0.1° |
| C22 | C23 | C24 | H22 | 180.0° | 179.9° |
| C22 | C23 | C24 | CL2 | 178.0° | 180.0° |
| C22 | C23 | C24 | C25 | 3.1° | 0.2° |
| C23 | C22 | C21 | H21 | 174.5° | 180.0° |
| C23 | C24 | CL2 | C25 | 178.9° | 179.8° |
| C23 | C24 | C25 | C20 | 1.6° | 0.5° |
| C23 | C24 | C25 | H23 | 178.4° | 179.9° |
| CL2 | C24 | C25 | C20 | 179.5° | 179.7° |
| CL2 | C24 | C23 | H22 | 2.0° | 0.1° |
| CL2 | C24 | C25 | H23 | 0.5° | 0.3° |
| C24 | C25 | C20 | H23 | 180.0° | 179.4° |
| C25 | C24 | C23 | H22 | 176.9° | 179.7° |
| O3 | C13 | C12 | O4 | 100.4° | 42.1° |
| O3 | C13 | C12 | H9 | 143.5° | 162.2° |
| C12 | O4 | C26 | C27 | 178.6° | 178.8° |
| C12 | O4 | C26 | C28 | 59.7° | 61.1° |
| C12 | O4 | C26 | H24 | 60.9° | 58.8° |
| O4 | C12 | C2 | H4 | 62.3° | 62.4° |
| O4 | C26 | C27 | C28 | 121.2° | 120.0° |
| O4 | C26 | C27 | H24 | 118.7° | 120.0° |
| O4 | C26 | C27 | O5 | 60.8° | 65.0° |
| O4 | C26 | C28 | H24 | 121.4° | 120.0° |
| O4 | C26 | C28 | O6 | 60.7° | 62.3° |
| O4 | C26 | C28 | C3 | 59.4° | 57.6° |
| O4 | C26 | C28 | H28 | 178.4° | 177.5° |
| C26 | O4 | C12 | H9 | 63.6° | 58.8° |
| O4 | C26 | C27 | H25 | 178.7° | 175.0° |
| O4 | C26 | C27 | H26 | 59.6° | 55.0° |
| C26 | C27 | O5 | H25 | 120.5° | 120.0° |
| C26 | C27 | O5 | H26 | 120.4° | 120.0° |
| C27 | C26 | C28 | H24 | 119.9° | 120.0° |
| C27 | C26 | C28 | O6 | 58.0° | 57.7° |
| C27 | C26 | C28 | C3 | 178.0° | 177.6° |
| C27 | C26 | C28 | H28 | 62.9° | 62.5° |
| C26 | C27 | H25 | H26 | 118.7° | 120.0° |
| C26 | C27 | O5 | H27 | 180.0° | 180.0° |
| O5 | C27 | C26 | C28 | 178.0° | 175.0° |
| O5 | C27 | C26 | H24 | 57.9° | 55.0° |
| O5 | C27 | H25 | H26 | 118.6° | 120.0° |
| C26 | C28 | O6 | C3 | 120.0° | 119.7° |
| C26 | C28 | O6 | H28 | 120.0° | 120.1° |
| C26 | C28 | C3 | H28 | 119.2° | 119.9° |
| C26 | C28 | C3 | H5 | 59.6° | 62.9° |
| C28 | C26 | C27 | H25 | 57.5° | 55.0° |
| C28 | C26 | C27 | H26 | 61.6° | 65.0° |
| C26 | C28 | O6 | H29 | 180.0° | 60.0° |
| O6 | C28 | C3 | H28 | 121.0° | 120.2° |
| O6 | C28 | C26 | H24 | 177.9° | 177.7° |
| O6 | C28 | C3 | H5 | 179.4° | 177.2° |
| C28 | C3 | N1 | C11 | 67.5° | 35.3° |
| C3 | C28 | C26 | H24 | 62.1° | 62.4° |
| C28 | C3 | C2 | H4 | 65.8° | 63.0° |
| C3 | C28 | O6 | H29 | 60.0° | 179.6° |
| C11 | N1 | C3 | H5 | 175.0° | 155.5° |
| C19 | C18 | C17 | H15 | 177.5° | 180.0° |
| C19 | C18 | C17 | H16 | 63.0° | 60.0° |
| C18 | C19 | C14 | H10 | 58.7° | 60.0° |
| C19 | C18 | H17 | H18 | 118.8° | 120.0° |
| C18 | C19 | O2 | H20 | 59.4° | 65.6° |
| C25 | C20 | C21 | H21 | 176.2° | 179.7° |
| C10 | C7 | C6 | H6 | 176.3° | 180.0° |
| H12 | C15 | C14 | H10 | 63.6° | 60.0° |
| H12 | C15 | C16 | H13 | 59.8° | 60.1° |
| H12 | C15 | C16 | H14 | 60.5° | 60.0° |
| H11 | C15 | C14 | H10 | 176.0° | 180.0° |
| H11 | C15 | C16 | H13 | 179.8° | 180.0° |
| H11 | C15 | C16 | H14 | 59.9° | 60.0° |
| H15 | C17 | C16 | H13 | 59.1° | 60.0° |
| H15 | C17 | C16 | H14 | 61.2° | 60.0° |
| H15 | C17 | C18 | H17 | 57.2° | 60.0° |
| H15 | C17 | C18 | H18 | 62.1° | 60.0° |
| H16 | C17 | C16 | H13 | 178.6° | 180.0° |
| H16 | C17 | C16 | H14 | 58.3° | 60.0° |
| H16 | C17 | C18 | H17 | 176.6° | 180.0° |
| H16 | C17 | C18 | H18 | 57.4° | 60.0° |
| H24 | C26 | C28 | H28 | 57.0° | 57.6° |
| H24 | C26 | C27 | H25 | 62.5° | 65.0° |
| H24 | C26 | C27 | H26 | 178.3° | 175.0° |
| H28 | C28 | C3 | H5 | 59.6° | 57.0° |
| H28 | C28 | O6 | H29 | 60.0° | 60.2° |
| H2 | C1 | H3 | H1 | 120.0° | 120.0° |
| H4 | C2 | C3 | H5 | 178.4° | 177.2° |
| H4 | C2 | C12 | H9 | 173.4° | 177.7° |
| H10 | C14 | C19 | H19 | 177.4° | 180.0° |
| H17 | C18 | C19 | H19 | 178.3° | 180.0° |
| H18 | C18 | C19 | H19 | 59.1° | 60.1° |
| H19 | C19 | O2 | H20 | 61.2° | 54.4° |
| H25 | C27 | O5 | H27 | 59.5° | 60.0° |
| H26 | C27 | O5 | H27 | 59.6° | 60.0° |
