A1H5A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | C4 | sing | 1.53Å | 1.52Å | |
| C2 | N1 | sing | 1.46Å | 1.46Å | |
| N1 | N2 | sing | 1.29Å | 1.34Å | Aromatic |
| N2 | N3 | doub | 1.29Å | 1.34Å | Aromatic |
| N3 | C5 | sing | 1.34Å | 1.35Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.48Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | N4 | sing | 1.47Å | 1.46Å | |
| N4 | N5 | sing | 1.29Å | 1.34Å | Aromatic |
| N5 | N6 | doub | 1.29Å | 1.33Å | Aromatic |
| N6 | C10 | sing | 1.35Å | 1.34Å | Aromatic |
| C10 | C11 | sing | 1.48Å | 1.45Å | |
| C11 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | F1 | sing | 1.35Å | 1.35Å | |
| C11 | C14 | sing | 1.39Å | 1.37Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | F2 | sing | 1.35Å | 1.34Å | |
| C15 | C16 | sing | 1.39Å | 1.35Å | Aromatic |
| C16 | F3 | sing | 1.35Å | 1.32Å | |
| C10 | C17 | doub | 1.36Å | 1.37Å | Aromatic |
| C8 | O1 | sing | 1.43Å | 1.44Å | |
| O1 | C18 | sing | 1.43Å | 1.42Å | |
| C7 | O2 | sing | 1.43Å | 1.43Å | |
| O2 | C19 | sing | 1.43Å | 1.41Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | O3 | sing | 1.43Å | 1.42Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | O4 | sing | 1.43Å | 1.42Å | |
| C5 | C22 | doub | 1.35Å | 1.36Å | Aromatic |
| C22 | N1 | sing | 1.35Å | 1.33Å | Aromatic |
| C21 | C9 | sing | 1.53Å | 1.50Å | |
| C17 | N4 | sing | 1.35Å | 1.34Å | Aromatic |
| C16 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| O3 | H24 | sing | 0.97Å | 0.95Å | |
| O4 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 106.8° | 109.5° |
| C1 | C2 | C4 | 115.0° | 109.5° |
| C1 | C2 | N1 | 108.2° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C2 | C1 | H1 | 109.4° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C3 | C2 | C4 | 105.5° | 109.5° |
| C3 | C2 | N1 | 111.5° | 109.5° |
| C2 | C3 | H6 | 109.5° | 109.5° |
| C2 | C3 | H4 | 109.5° | 109.5° |
| C2 | C3 | H5 | 109.5° | 109.5° |
| C4 | C2 | N1 | 109.9° | 109.5° |
| C2 | C4 | H8 | 109.5° | 109.5° |
| C2 | C4 | H9 | 109.5° | 109.4° |
| C2 | C4 | H7 | 109.5° | 109.5° |
| C2 | N1 | N2 | 124.7° | 125.8° |
| C2 | N1 | C22 | 127.7° | 125.9° |
| N1 | N2 | N3 | 108.4° | 110.1° |
| N2 | N1 | C22 | 107.3° | 108.3° |
| N2 | N3 | C5 | 108.2° | 108.9° |
| N3 | C5 | C6 | 119.7° | 126.8° |
| N3 | C5 | C22 | 106.3° | 106.5° |
| C5 | C6 | C7 | 116.0° | 109.4° |
| C6 | C5 | C22 | 133.8° | 126.7° |
| C5 | C6 | H10 | 107.8° | 109.5° |
| C5 | C6 | H11 | 107.8° | 109.5° |
| C6 | C7 | C8 | 113.0° | 109.4° |
| C6 | C7 | O2 | 112.3° | 109.4° |
| C7 | C6 | H10 | 107.8° | 109.5° |
| C7 | C6 | H11 | 107.8° | 109.5° |
| C6 | C7 | H12 | 107.0° | 109.5° |
| C7 | C8 | C9 | 111.4° | 109.2° |
| C7 | C8 | O1 | 110.7° | 109.5° |
| C8 | C7 | O2 | 108.9° | 109.4° |
| C8 | C7 | H12 | 107.1° | 109.5° |
| C7 | C8 | H13 | 108.7° | 109.5° |
| C8 | C9 | N4 | 111.1° | 109.6° |
| C9 | C8 | O1 | 107.4° | 109.5° |
| C8 | C9 | C21 | 108.5° | 109.0° |
| C9 | C8 | H13 | 108.8° | 109.6° |
| C8 | C9 | H14 | 107.9° | 109.6° |
| C9 | N4 | N5 | 118.5° | 125.7° |
| N4 | C9 | C21 | 112.3° | 109.5° |
| C9 | N4 | C17 | 131.0° | 125.8° |
| N4 | C9 | H14 | 108.7° | 109.6° |
| N4 | N5 | N6 | 106.9° | 110.5° |
| N5 | N4 | C17 | 110.4° | 108.5° |
| N5 | N6 | C10 | 109.0° | 108.8° |
| N6 | C10 | C11 | 123.4° | 126.9° |
| N6 | C10 | C17 | 108.4° | 106.2° |
| C10 | C11 | C12 | 117.2° | 120.0° |
| C10 | C11 | C14 | 120.9° | 120.1° |
| C11 | C10 | C17 | 128.1° | 126.9° |
| C11 | C12 | C13 | 118.5° | 119.9° |
| C12 | C11 | C14 | 121.7° | 119.9° |
| C11 | C12 | H15 | 120.8° | 120.1° |
| C12 | C13 | F1 | 121.5° | 120.0° |
| C12 | C13 | C16 | 120.5° | 120.1° |
| C13 | C12 | H15 | 120.8° | 120.0° |
| F1 | C13 | C16 | 117.9° | 119.9° |
| C11 | C14 | C15 | 118.2° | 119.9° |
| C11 | C14 | H16 | 120.9° | 120.0° |
| C14 | C15 | F2 | 119.4° | 120.0° |
| C14 | C15 | C16 | 121.3° | 120.1° |
| C15 | C14 | H16 | 120.9° | 120.0° |
| F2 | C15 | C16 | 119.2° | 119.9° |
| C15 | C16 | F3 | 121.7° | 119.9° |
| C15 | C16 | C13 | 119.7° | 120.1° |
| F3 | C16 | C13 | 118.5° | 120.0° |
| C10 | C17 | N4 | 105.3° | 106.1° |
| C10 | C17 | H17 | 127.3° | 127.0° |
| C8 | O1 | C18 | 109.1° | 114.0° |
| O1 | C8 | H13 | 109.9° | 109.5° |
| O1 | C18 | H19 | 109.5° | 109.5° |
| O1 | C18 | H20 | 109.5° | 109.4° |
| O1 | C18 | H18 | 109.5° | 109.4° |
| C7 | O2 | C19 | 114.5° | 114.1° |
| O2 | C7 | H12 | 108.3° | 109.6° |
| O2 | C19 | C20 | 109.0° | 109.5° |
| O2 | C19 | C21 | 109.3° | 109.4° |
| O2 | C19 | H21 | 110.6° | 109.5° |
| C19 | C20 | O3 | 108.8° | 109.4° |
| C20 | C19 | C21 | 109.9° | 109.4° |
| C19 | C20 | H22 | 109.6° | 109.5° |
| C19 | C20 | H23 | 109.6° | 109.5° |
| C20 | C19 | H21 | 109.1° | 109.5° |
| O3 | C20 | H22 | 109.7° | 109.5° |
| O3 | C20 | H23 | 109.6° | 109.5° |
| C20 | O3 | H24 | 109.5° | 114.0° |
| C19 | C21 | O4 | 110.7° | 109.6° |
| C19 | C21 | C9 | 109.3° | 109.1° |
| C19 | C21 | H25 | 108.2° | 109.6° |
| C21 | C19 | H21 | 108.9° | 109.5° |
| O4 | C21 | C9 | 110.3° | 109.5° |
| O4 | C21 | H25 | 109.8° | 109.5° |
| C21 | O4 | H26 | 109.5° | 114.0° |
| C5 | C22 | N1 | 109.3° | 106.2° |
| C5 | C22 | H27 | 125.3° | 127.0° |
| N1 | C22 | H27 | 125.3° | 126.9° |
| C9 | C21 | H25 | 108.6° | 109.5° |
| C21 | C9 | H14 | 108.1° | 109.5° |
| N4 | C17 | H17 | 127.4° | 126.9° |
| H8 | C4 | H9 | 109.4° | 109.5° |
| H8 | C4 | H7 | 109.5° | 109.4° |
| H9 | C4 | H7 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.4° |
| H22 | C20 | H23 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H3 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H6 | C3 | H4 | 109.5° | 109.5° |
| H6 | C3 | H5 | 109.4° | 109.4° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| H19 | C18 | H20 | 109.5° | 109.5° |
| H19 | C18 | H18 | 109.4° | 109.5° |
| H20 | C18 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C4 | 122.8° | 120.0° |
| C1 | C2 | C3 | N1 | 117.9° | 120.0° |
| C1 | C2 | C4 | N1 | 122.4° | 120.0° |
| C1 | C2 | N1 | N2 | 108.3° | 105.0° |
| C1 | C2 | N1 | C22 | 64.8° | 74.7° |
| C1 | C2 | C4 | H8 | 180.0° | 60.0° |
| C1 | C2 | C4 | H9 | 60.0° | 180.0° |
| C1 | C2 | C4 | H7 | 60.0° | 60.0° |
| C2 | C1 | H3 | H1 | 120.0° | 120.0° |
| C2 | C1 | H3 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.1° |
| C1 | C2 | C3 | H6 | 180.0° | 60.0° |
| C1 | C2 | C3 | H4 | 60.0° | 179.9° |
| C1 | C2 | C3 | H5 | 60.0° | 60.0° |
| C3 | C2 | C4 | N1 | 120.3° | 120.0° |
| C3 | C2 | N1 | N2 | 134.6° | 15.1° |
| C3 | C2 | N1 | C22 | 52.3° | 165.3° |
| C3 | C2 | C4 | H8 | 62.6° | 60.0° |
| C3 | C2 | C4 | H9 | 177.4° | 60.0° |
| C3 | C2 | C4 | H7 | 57.4° | 180.0° |
| C3 | C2 | C1 | H3 | 180.0° | 60.0° |
| C3 | C2 | C1 | H1 | 60.0° | 180.0° |
| C3 | C2 | C1 | H2 | 60.0° | 60.0° |
| C2 | C3 | H6 | H4 | 120.0° | 120.1° |
| C2 | C3 | H6 | H5 | 120.0° | 120.0° |
| C2 | C3 | H4 | H5 | 120.0° | 120.0° |
| C4 | C2 | N1 | N2 | 18.1° | 135.0° |
| C4 | C2 | N1 | C22 | 168.9° | 45.3° |
| C2 | C4 | H8 | H9 | 120.0° | 120.0° |
| C2 | C4 | H8 | H7 | 120.0° | 120.0° |
| C2 | C4 | H9 | H7 | 120.0° | 120.0° |
| C4 | C2 | C1 | H3 | 63.3° | 60.0° |
| C4 | C2 | C1 | H1 | 176.6° | 60.0° |
| C4 | C2 | C1 | H2 | 56.7° | 180.0° |
| C4 | C2 | C3 | H6 | 57.2° | 179.9° |
| C4 | C2 | C3 | H4 | 62.8° | 59.9° |
| C4 | C2 | C3 | H5 | 177.1° | 60.0° |
| C2 | N1 | N2 | C22 | 174.3° | 179.7° |
| C2 | N1 | N2 | N3 | 179.4° | 179.7° |
| C2 | N1 | C22 | C5 | 179.4° | 179.7° |
| N1 | C2 | C4 | H8 | 57.6° | 180.0° |
| N1 | C2 | C4 | H9 | 62.4° | 60.0° |
| N1 | C2 | C4 | H7 | 177.7° | 60.0° |
| C2 | N1 | C22 | H27 | 0.5° | 0.3° |
| N1 | C2 | C1 | H3 | 59.9° | 180.0° |
| N1 | C2 | C1 | H1 | 60.1° | 60.0° |
| N1 | C2 | C1 | H2 | 180.0° | 60.1° |
| N1 | C2 | C3 | H6 | 62.1° | 60.1° |
| N1 | C2 | C3 | H4 | 177.9° | 60.0° |
| N1 | C2 | C3 | H5 | 57.9° | 180.0° |
| N1 | N2 | N3 | C5 | 1.8° | 0.0° |
| N2 | N1 | C22 | C5 | 6.5° | 0.0° |
| N2 | N1 | C22 | H27 | 173.5° | 180.0° |
| N2 | N3 | C5 | C6 | 178.4° | 180.0° |
| N2 | N3 | C5 | C22 | 2.1° | 0.0° |
| N3 | N2 | N1 | C22 | 5.1° | 0.0° |
| N3 | C5 | C6 | C22 | 175.1° | 180.0° |
| N3 | C5 | C6 | C7 | 167.0° | 55.0° |
| N3 | C5 | C22 | N1 | 5.4° | 0.0° |
| N3 | C5 | C6 | H10 | 72.0° | 65.0° |
| N3 | C5 | C6 | H11 | 46.1° | 175.0° |
| N3 | C5 | C22 | H27 | 174.6° | 180.0° |
| C5 | C6 | C7 | H10 | 121.0° | 120.1° |
| C5 | C6 | C7 | H11 | 120.9° | 120.0° |
| C5 | C6 | C7 | C8 | 173.6° | 175.0° |
| C5 | C6 | C7 | O2 | 50.0° | 65.1° |
| C6 | C5 | C22 | N1 | 179.1° | 180.0° |
| C5 | C6 | H10 | H11 | 117.1° | 120.0° |
| C5 | C6 | C7 | H12 | 68.8° | 55.0° |
| C6 | C5 | C22 | H27 | 0.9° | 0.0° |
| C6 | C7 | C8 | O2 | 125.5° | 119.9° |
| C6 | C7 | C8 | H12 | 117.6° | 120.0° |
| C6 | C7 | C8 | C9 | 70.3° | 62.3° |
| C6 | C7 | C8 | O1 | 49.1° | 57.6° |
| C6 | C7 | O2 | H12 | 118.0° | 120.0° |
| C6 | C7 | O2 | C19 | 66.9° | 58.8° |
| C7 | C6 | C5 | C22 | 17.9° | 124.9° |
| C7 | C6 | H10 | H11 | 117.0° | 120.0° |
| C6 | C7 | C8 | H13 | 169.9° | 177.7° |
| C7 | C8 | C9 | O1 | 121.4° | 119.9° |
| C7 | C8 | C9 | H13 | 119.8° | 119.9° |
| C7 | C8 | C9 | N4 | 179.9° | 176.8° |
| C7 | C8 | O1 | H13 | 120.1° | 120.1° |
| C7 | C8 | O1 | C18 | 82.0° | 90.0° |
| C8 | C7 | O2 | H12 | 116.1° | 120.0° |
| C8 | C7 | O2 | C19 | 59.1° | 61.1° |
| C7 | C8 | C9 | C21 | 55.9° | 57.0° |
| C8 | C7 | C6 | H10 | 52.6° | 64.9° |
| C8 | C7 | C6 | H11 | 65.4° | 55.0° |
| C7 | C8 | C9 | H14 | 61.0° | 62.9° |
| C8 | C9 | N4 | C21 | 121.7° | 119.5° |
| C8 | C9 | N4 | H14 | 118.7° | 120.3° |
| C8 | C9 | N4 | N5 | 124.5° | 95.0° |
| C9 | C8 | O1 | H13 | 118.2° | 120.2° |
| C9 | C8 | O1 | C18 | 156.2° | 150.3° |
| C9 | C8 | C7 | O2 | 55.2° | 57.6° |
| C8 | C9 | C21 | C19 | 56.7° | 57.0° |
| C8 | C9 | C21 | O4 | 65.2° | 62.9° |
| C8 | C9 | C21 | H14 | 116.8° | 119.9° |
| C8 | C9 | N4 | C17 | 59.8° | 85.0° |
| C9 | C8 | C7 | H12 | 172.1° | 177.6° |
| C8 | C9 | C21 | H25 | 174.5° | 176.9° |
| C9 | N4 | N5 | C17 | 176.5° | 180.0° |
| C9 | N4 | N5 | N6 | 176.3° | 179.7° |
| C9 | N4 | C17 | C10 | 176.4° | 180.0° |
| N4 | C9 | C8 | O1 | 58.8° | 63.3° |
| N4 | C9 | C21 | C19 | 179.9° | 176.9° |
| N4 | C9 | C21 | O4 | 58.0° | 56.9° |
| N4 | C9 | C21 | H14 | 120.0° | 120.2° |
| N4 | C9 | C8 | H13 | 60.1° | 56.9° |
| C9 | N4 | C17 | H17 | 3.5° | 0.1° |
| N4 | C9 | C21 | H25 | 62.3° | 63.2° |
| N4 | N5 | N6 | C10 | 0.8° | 0.4° |
| N5 | N4 | C17 | C10 | 0.5° | 0.0° |
| N5 | N4 | C9 | C21 | 113.8° | 145.4° |
| N5 | N4 | C17 | H17 | 179.5° | 179.9° |
| N5 | N4 | C9 | H14 | 5.8° | 25.3° |
| N5 | N6 | C10 | C11 | 178.9° | 179.8° |
| N5 | N6 | C10 | C17 | 1.2° | 0.4° |
| N6 | N5 | N4 | C17 | 0.2° | 0.3° |
| N6 | C10 | C11 | C17 | 177.3° | 179.7° |
| N6 | C10 | C11 | C12 | 19.1° | 0.3° |
| N6 | C10 | C11 | C14 | 156.3° | 179.7° |
| N6 | C10 | C17 | N4 | 1.0° | 0.2° |
| N6 | C10 | C17 | H17 | 179.0° | 179.8° |
| C10 | C11 | C12 | C14 | 175.4° | 180.0° |
| C10 | C11 | C12 | C13 | 178.9° | 180.0° |
| C10 | C11 | C14 | C15 | 178.4° | 179.7° |
| C11 | C10 | C17 | N4 | 178.6° | 180.0° |
| C11 | C10 | C17 | H17 | 1.4° | 0.1° |
| C10 | C11 | C12 | H15 | 1.1° | 0.0° |
| C10 | C11 | C14 | H16 | 1.6° | 0.1° |
| C11 | C12 | C13 | H15 | 180.0° | 179.9° |
| C11 | C12 | C13 | F1 | 179.9° | 180.0° |
| C12 | C11 | C14 | C15 | 3.2° | 0.3° |
| C12 | C11 | C10 | C17 | 163.6° | 180.0° |
| C11 | C12 | C13 | C16 | 3.2° | 0.3° |
| C12 | C11 | C14 | H16 | 176.8° | 180.0° |
| C12 | C13 | F1 | C16 | 176.8° | 179.7° |
| C13 | C12 | C11 | C14 | 3.4° | 0.0° |
| C12 | C13 | C16 | C15 | 2.8° | 0.3° |
| C12 | C13 | C16 | F3 | 179.1° | 179.7° |
| F1 | C13 | C16 | C15 | 179.7° | 180.0° |
| F1 | C13 | C16 | F3 | 4.1° | 0.0° |
| F1 | C13 | C12 | H15 | 0.1° | 0.1° |
| C11 | C14 | C15 | H16 | 180.0° | 179.7° |
| C11 | C14 | C15 | F2 | 179.4° | 179.8° |
| C11 | C14 | C15 | C16 | 2.8° | 0.3° |
| C14 | C11 | C10 | C17 | 21.0° | 0.0° |
| C14 | C11 | C12 | H15 | 176.6° | 179.9° |
| C14 | C15 | F2 | C16 | 177.9° | 179.9° |
| C14 | C15 | C16 | F3 | 178.7° | 180.0° |
| C14 | C15 | C16 | C13 | 2.6° | 0.0° |
| F2 | C15 | C16 | F3 | 3.4° | 0.0° |
| F2 | C15 | C16 | C13 | 179.6° | 180.0° |
| F2 | C15 | C14 | H16 | 0.6° | 0.0° |
| C15 | C16 | F3 | C13 | 176.2° | 180.0° |
| C16 | C15 | C14 | H16 | 177.2° | 179.9° |
| C10 | C17 | N4 | H17 | 180.0° | 180.0° |
| O1 | C8 | C7 | O2 | 174.6° | 177.5° |
| O1 | C8 | C9 | C21 | 177.3° | 176.9° |
| O1 | C8 | C7 | H12 | 68.5° | 62.4° |
| O1 | C8 | C9 | H14 | 60.4° | 57.0° |
| C8 | O1 | C18 | H19 | 180.0° | 180.0° |
| C8 | O1 | C18 | H20 | 60.0° | 60.0° |
| C8 | O1 | C18 | H18 | 60.0° | 60.0° |
| C18 | O1 | C8 | H13 | 38.1° | 30.1° |
| O1 | C18 | H19 | H20 | 120.0° | 120.0° |
| O1 | C18 | H19 | H18 | 120.0° | 120.0° |
| O1 | C18 | H20 | H18 | 120.0° | 119.9° |
| C7 | O2 | C19 | C20 | 178.5° | 178.9° |
| C7 | O2 | C19 | C21 | 61.4° | 61.2° |
| O2 | C7 | C6 | H10 | 71.0° | 55.0° |
| O2 | C7 | C6 | H11 | 170.9° | 174.9° |
| O2 | C7 | C8 | H13 | 64.6° | 62.4° |
| C7 | O2 | C19 | H21 | 58.6° | 58.8° |
| O2 | C19 | C20 | C21 | 119.8° | 119.9° |
| O2 | C19 | C20 | H21 | 120.9° | 120.1° |
| O2 | C19 | C20 | O3 | 62.7° | 65.0° |
| O2 | C19 | C21 | H21 | 121.0° | 120.0° |
| O2 | C19 | C21 | O4 | 62.7° | 62.3° |
| O2 | C19 | C21 | C9 | 59.0° | 57.6° |
| C19 | O2 | C7 | H12 | 175.1° | 178.8° |
| O2 | C19 | C20 | H22 | 177.4° | 175.0° |
| O2 | C19 | C20 | H23 | 57.2° | 55.0° |
| O2 | C19 | C21 | H25 | 177.0° | 177.5° |
| C19 | C20 | O3 | H22 | 119.9° | 120.0° |
| C19 | C20 | O3 | H23 | 119.9° | 120.0° |
| C20 | C19 | C21 | H21 | 119.4° | 120.0° |
| C20 | C19 | C21 | O4 | 56.9° | 57.7° |
| C20 | C19 | C21 | C9 | 178.6° | 177.6° |
| C19 | C20 | H22 | H23 | 120.3° | 120.0° |
| C20 | C19 | C21 | H25 | 63.4° | 62.5° |
| C19 | C20 | O3 | H24 | 180.0° | 179.9° |
| O3 | C20 | C19 | C21 | 177.5° | 175.1° |
| O3 | C20 | H22 | H23 | 120.3° | 120.0° |
| O3 | C20 | C19 | H21 | 58.2° | 55.1° |
| C19 | C21 | O4 | C9 | 121.1° | 119.7° |
| C19 | C21 | O4 | H25 | 119.3° | 120.2° |
| C19 | C21 | C9 | H25 | 117.8° | 119.9° |
| C21 | C19 | C20 | H22 | 57.6° | 55.1° |
| C21 | C19 | C20 | H23 | 62.6° | 64.9° |
| C19 | C21 | C9 | H14 | 60.1° | 62.9° |
| C19 | C21 | O4 | H26 | 180.0° | 60.3° |
| O4 | C21 | C9 | H25 | 120.3° | 120.1° |
| O4 | C21 | C9 | H14 | 178.0° | 177.1° |
| O4 | C21 | C19 | H21 | 176.3° | 177.7° |
| C5 | C22 | N1 | H27 | 180.0° | 179.9° |
| C22 | C5 | C6 | H10 | 103.1° | 115.0° |
| C22 | C5 | C6 | H11 | 138.8° | 5.0° |
| C21 | C9 | N4 | C17 | 61.9° | 34.5° |
| C21 | C9 | C8 | H13 | 63.9° | 62.9° |
| C9 | C21 | C19 | H21 | 62.0° | 62.4° |
| C9 | C21 | O4 | H26 | 58.9° | 180.0° |
| C17 | N4 | C9 | H14 | 178.5° | 154.7° |
| C16 | C13 | C12 | H15 | 176.8° | 179.7° |
| H8 | C4 | H9 | H7 | 120.0° | 120.0° |
| H10 | C6 | C7 | H12 | 170.2° | 175.1° |
| H11 | C6 | C7 | H12 | 52.2° | 65.0° |
| H12 | C7 | C8 | H13 | 52.3° | 57.7° |
| H13 | C8 | C9 | H14 | 179.2° | 177.2° |
| H22 | C20 | C19 | H21 | 61.7° | 65.0° |
| H22 | C20 | O3 | H24 | 60.1° | 60.0° |
| H23 | C20 | C19 | H21 | 178.1° | 175.0° |
| H23 | C20 | O3 | H24 | 60.1° | 60.0° |
| H25 | C21 | C9 | H14 | 57.7° | 57.0° |
| H25 | C21 | C19 | H21 | 56.0° | 57.5° |
| H25 | C21 | O4 | H26 | 60.7° | 59.9° |
| H3 | C1 | H1 | H2 | 120.0° | 120.0° |
| H6 | C3 | H4 | H5 | 120.0° | 119.9° |
| H19 | C18 | H20 | H18 | 120.0° | 120.0° |
