A1H2O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C3 | C2 | sing | 1.54Å | 1.54Å | |
| O1 | C3 | sing | 1.44Å | 1.45Å | |
| O1 | C4 | sing | 1.44Å | 1.45Å | |
| C2 | C5 | sing | 1.51Å | 1.50Å | |
| C5 | N1 | doub | 1.30Å | 1.28Å | Aromatic |
| O2 | N1 | sing | 1.21Å | 1.42Å | Aromatic |
| O2 | C6 | sing | 1.34Å | 1.32Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.49Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C10 | N2 | sing | 1.46Å | 1.44Å | |
| N2 | N3 | sing | 1.29Å | 1.34Å | Aromatic |
| N4 | N3 | doub | 1.29Å | 1.34Å | Aromatic |
| C11 | N4 | sing | 1.34Å | 1.33Å | Aromatic |
| C12 | C11 | sing | 1.49Å | 1.48Å | |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | CL1 | sing | 1.74Å | 1.69Å | |
| C15 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| F1 | C16 | sing | 1.35Å | 1.37Å | |
| C12 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| F2 | C17 | sing | 1.35Å | 1.33Å | |
| C18 | C11 | doub | 1.36Å | 1.37Å | Aromatic |
| O3 | C9 | sing | 1.43Å | 1.40Å | |
| O3 | C19 | sing | 1.43Å | 1.43Å | |
| O4 | C8 | sing | 1.43Å | 1.43Å | |
| O4 | C20 | sing | 1.43Å | 1.43Å | |
| C21 | C20 | sing | 1.53Å | 1.49Å | |
| O5 | C21 | sing | 1.43Å | 1.45Å | |
| C22 | C20 | sing | 1.53Å | 1.50Å | |
| O6 | C22 | sing | 1.43Å | 1.44Å | |
| C23 | C6 | doub | 1.35Å | 1.34Å | Aromatic |
| C4 | C2 | sing | 1.54Å | 1.54Å | |
| C23 | C5 | sing | 1.41Å | 1.38Å | Aromatic |
| C22 | C10 | sing | 1.53Å | 1.52Å | |
| C18 | N2 | sing | 1.35Å | 1.35Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.36Å | Aromatic |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| O5 | H22 | sing | 0.97Å | 0.95Å | |
| O6 | H24 | sing | 0.97Å | 0.95Å | |
| C23 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 111.2° | 113.8° |
| C1 | C2 | C5 | 109.7° | 113.0° |
| C1 | C2 | C4 | 112.8° | 113.8° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C3 | O1 | 91.1° | 85.5° |
| C3 | C2 | C5 | 114.5° | 113.9° |
| C3 | C2 | C4 | 84.4° | 85.8° |
| C2 | C3 | H5 | 113.8° | 113.9° |
| C2 | C3 | H4 | 113.8° | 113.8° |
| C3 | O1 | C4 | 91.0° | 93.3° |
| O1 | C3 | H5 | 113.8° | 113.9° |
| O1 | C3 | H4 | 113.8° | 114.0° |
| O1 | C4 | C2 | 91.0° | 85.5° |
| O1 | C4 | H7 | 113.9° | 113.8° |
| O1 | C4 | H6 | 113.9° | 114.0° |
| C2 | C5 | N1 | 120.2° | 126.8° |
| C5 | C2 | C4 | 122.0° | 113.8° |
| C2 | C5 | C23 | 127.9° | 126.8° |
| C5 | N1 | O2 | 105.1° | 111.6° |
| N1 | C5 | C23 | 111.8° | 106.4° |
| N1 | O2 | C6 | 108.2° | 111.6° |
| O2 | C6 | C7 | 115.1° | 126.8° |
| O2 | C6 | C23 | 109.2° | 106.4° |
| C6 | C7 | C8 | 114.8° | 109.5° |
| C7 | C6 | C23 | 135.6° | 126.8° |
| C6 | C7 | H8 | 108.2° | 109.5° |
| C6 | C7 | H9 | 108.1° | 109.4° |
| C7 | C8 | C9 | 113.2° | 109.5° |
| C7 | C8 | O4 | 108.2° | 109.5° |
| C8 | C7 | H8 | 108.1° | 109.5° |
| C8 | C7 | H9 | 108.1° | 109.5° |
| C7 | C8 | H10 | 107.8° | 109.4° |
| C8 | C9 | C10 | 108.7° | 109.1° |
| C8 | C9 | O3 | 108.7° | 109.5° |
| C9 | C8 | O4 | 110.5° | 109.5° |
| C9 | C8 | H10 | 107.8° | 109.5° |
| C8 | C9 | H11 | 109.5° | 109.5° |
| C9 | C10 | N2 | 111.4° | 109.5° |
| C10 | C9 | O3 | 108.7° | 109.5° |
| C9 | C10 | C22 | 110.0° | 109.0° |
| C9 | C10 | H12 | 107.4° | 109.5° |
| C10 | C9 | H11 | 109.8° | 109.5° |
| C10 | N2 | N3 | 119.1° | 125.8° |
| N2 | C10 | C22 | 112.4° | 109.5° |
| C10 | N2 | C18 | 130.4° | 125.8° |
| N2 | C10 | H12 | 108.2° | 109.6° |
| N2 | N3 | N4 | 106.5° | 110.5° |
| N3 | N2 | C18 | 110.4° | 108.4° |
| N3 | N4 | C11 | 109.5° | 108.8° |
| N4 | C11 | C12 | 121.3° | 126.9° |
| N4 | C11 | C18 | 108.1° | 106.2° |
| C11 | C12 | C13 | 118.7° | 120.1° |
| C11 | C12 | C17 | 123.6° | 120.1° |
| C12 | C11 | C18 | 130.6° | 126.9° |
| C12 | C13 | C14 | 121.3° | 120.0° |
| C13 | C12 | C17 | 117.6° | 119.8° |
| C12 | C13 | H13 | 119.3° | 120.0° |
| C13 | C14 | C15 | 119.2° | 120.2° |
| C14 | C13 | H13 | 119.4° | 120.0° |
| C13 | C14 | H14 | 120.4° | 119.9° |
| C14 | C15 | CL1 | 118.1° | 119.9° |
| C14 | C15 | C16 | 120.1° | 120.2° |
| C15 | C14 | H14 | 120.4° | 119.9° |
| CL1 | C15 | C16 | 121.7° | 119.9° |
| C15 | C16 | F1 | 121.6° | 120.0° |
| C15 | C16 | C17 | 119.9° | 120.0° |
| F1 | C16 | C17 | 118.5° | 120.0° |
| C12 | C17 | F2 | 121.7° | 120.1° |
| C12 | C17 | C16 | 121.9° | 119.8° |
| F2 | C17 | C16 | 116.4° | 120.1° |
| C11 | C18 | N2 | 105.5° | 106.0° |
| C11 | C18 | H15 | 127.2° | 127.0° |
| C9 | O3 | C19 | 117.0° | 114.0° |
| O3 | C9 | H11 | 111.4° | 109.6° |
| O3 | C19 | H17 | 109.5° | 109.5° |
| O3 | C19 | H18 | 109.5° | 109.5° |
| O3 | C19 | H16 | 109.5° | 109.5° |
| C8 | O4 | C20 | 117.1° | 114.1° |
| O4 | C8 | H10 | 109.2° | 109.5° |
| O4 | C20 | C21 | 109.4° | 109.5° |
| O4 | C20 | C22 | 109.5° | 109.4° |
| O4 | C20 | H19 | 110.5° | 109.5° |
| C20 | C21 | O5 | 107.3° | 109.5° |
| C21 | C20 | C22 | 108.2° | 109.5° |
| C21 | C20 | H19 | 109.7° | 109.5° |
| C20 | C21 | H20 | 110.0° | 109.4° |
| C20 | C21 | H21 | 110.0° | 109.5° |
| O5 | C21 | H20 | 110.0° | 109.5° |
| O5 | C21 | H21 | 110.0° | 109.5° |
| C21 | O5 | H22 | 109.5° | 114.0° |
| C20 | C22 | O6 | 111.0° | 109.6° |
| C20 | C22 | C10 | 109.7° | 109.1° |
| C22 | C20 | H19 | 109.5° | 109.5° |
| C20 | C22 | H23 | 108.5° | 109.5° |
| O6 | C22 | C10 | 110.0° | 109.5° |
| O6 | C22 | H23 | 109.4° | 109.6° |
| C22 | O6 | H24 | 109.5° | 114.0° |
| C6 | C23 | C5 | 105.7° | 104.0° |
| C6 | C23 | H25 | 127.2° | 128.1° |
| C2 | C4 | H7 | 113.9° | 113.9° |
| C2 | C4 | H6 | 113.9° | 113.9° |
| C5 | C23 | H25 | 127.1° | 127.9° |
| C22 | C10 | H12 | 107.2° | 109.6° |
| C10 | C22 | H23 | 108.3° | 109.5° |
| N2 | C18 | H15 | 127.3° | 127.0° |
| H7 | C4 | H6 | 109.5° | 113.0° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H20 | C21 | H21 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C3 | H4 | 109.5° | 113.0° |
| H17 | C19 | H18 | 109.4° | 109.4° |
| H17 | C19 | H16 | 109.5° | 109.5° |
| H18 | C19 | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C5 | 125.0° | 131.6° |
| C1 | C2 | C3 | C4 | 112.3° | 114.2° |
| C1 | C2 | C3 | O1 | 101.0° | 91.6° |
| C1 | C2 | C4 | O1 | 99.5° | 91.6° |
| C1 | C2 | C5 | C4 | 135.1° | 131.8° |
| C1 | C2 | C5 | N1 | 11.8° | 116.8° |
| C1 | C2 | C5 | C23 | 171.5° | 63.1° |
| C1 | C2 | C4 | H7 | 17.3° | 154.3° |
| C1 | C2 | C4 | H6 | 143.8° | 22.6° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.1° |
| C1 | C2 | C3 | H5 | 15.7° | 22.6° |
| C1 | C2 | C3 | H4 | 142.2° | 154.1° |
| C2 | C3 | O1 | H5 | 116.8° | 114.1° |
| C2 | C3 | O1 | H4 | 116.8° | 114.1° |
| C2 | C3 | O1 | C4 | 11.9° | 24.2° |
| C3 | C2 | C5 | C4 | 99.1° | 96.2° |
| C3 | C2 | C5 | N1 | 114.1° | 111.3° |
| C3 | C2 | C5 | C23 | 62.7° | 68.8° |
| C3 | C2 | C4 | H7 | 128.0° | 91.6° |
| C3 | C2 | C4 | H6 | 105.5° | 136.8° |
| C3 | C2 | C1 | H1 | 180.0° | 156.2° |
| C3 | C2 | C1 | H2 | 60.0° | 83.9° |
| C3 | C2 | C1 | H3 | 60.0° | 36.2° |
| C2 | C3 | H5 | H4 | 128.7° | 131.9° |
| O1 | C3 | C2 | C5 | 134.0° | 136.8° |
| C3 | O1 | C4 | H7 | 128.7° | 90.0° |
| C3 | O1 | C4 | H6 | 104.8° | 138.4° |
| O1 | C3 | H5 | H4 | 128.7° | 132.2° |
| O1 | C4 | C2 | C5 | 126.7° | 136.9° |
| O1 | C4 | C2 | H7 | 116.8° | 114.1° |
| O1 | C4 | C2 | H6 | 116.8° | 114.3° |
| O1 | C4 | H7 | H6 | 128.7° | 132.1° |
| C4 | O1 | C3 | H5 | 128.7° | 138.3° |
| C4 | O1 | C3 | H4 | 104.8° | 90.0° |
| C2 | C5 | N1 | C23 | 177.2° | 179.9° |
| C2 | C5 | N1 | O2 | 177.9° | 180.0° |
| C2 | C5 | C23 | C6 | 178.7° | 180.0° |
| C5 | C2 | C4 | H7 | 116.5° | 22.8° |
| C5 | C2 | C4 | H6 | 10.0° | 108.8° |
| C5 | C2 | C1 | H1 | 52.4° | 71.8° |
| C5 | C2 | C1 | H2 | 67.6° | 48.1° |
| C5 | C2 | C1 | H3 | 172.4° | 168.2° |
| C5 | C2 | C3 | H5 | 109.3° | 109.0° |
| C5 | C2 | C3 | H4 | 17.2° | 22.5° |
| C2 | C5 | C23 | H25 | 1.3° | 0.1° |
| C5 | N1 | O2 | C6 | 0.6° | 0.1° |
| N1 | C5 | C23 | C6 | 1.7° | 0.1° |
| N1 | C5 | C2 | C4 | 146.8° | 15.1° |
| N1 | C5 | C23 | H25 | 178.3° | 180.0° |
| N1 | O2 | C6 | C7 | 178.8° | 179.9° |
| N1 | O2 | C6 | C23 | 1.7° | 0.0° |
| O2 | N1 | C5 | C23 | 0.7° | 0.1° |
| O2 | C6 | C7 | C23 | 176.0° | 179.9° |
| O2 | C6 | C7 | C8 | 166.6° | 90.0° |
| O2 | C6 | C23 | C5 | 2.1° | 0.0° |
| O2 | C6 | C7 | H8 | 72.7° | 30.0° |
| O2 | C6 | C7 | H9 | 45.8° | 150.0° |
| O2 | C6 | C23 | H25 | 177.9° | 180.0° |
| C6 | C7 | C8 | H8 | 120.8° | 120.0° |
| C6 | C7 | C8 | H9 | 120.7° | 120.0° |
| C6 | C7 | C8 | C9 | 173.8° | 175.0° |
| C6 | C7 | C8 | O4 | 51.0° | 65.0° |
| C7 | C6 | C23 | C5 | 178.2° | 180.0° |
| C6 | C7 | H8 | H9 | 117.6° | 120.0° |
| C6 | C7 | C8 | H10 | 67.0° | 55.0° |
| C7 | C6 | C23 | H25 | 1.7° | 0.1° |
| C7 | C8 | C9 | O4 | 121.5° | 120.0° |
| C7 | C8 | C9 | H10 | 119.2° | 120.0° |
| C7 | C8 | C9 | C10 | 67.8° | 62.4° |
| C7 | C8 | C9 | O3 | 50.4° | 57.5° |
| C7 | C8 | O4 | H10 | 117.1° | 120.0° |
| C7 | C8 | O4 | C20 | 69.7° | 58.8° |
| C8 | C7 | C6 | C23 | 17.4° | 90.0° |
| C8 | C7 | H8 | H9 | 117.6° | 120.1° |
| C7 | C8 | C9 | H11 | 172.3° | 177.7° |
| C8 | C9 | C10 | O3 | 118.2° | 119.9° |
| C8 | C9 | C10 | H11 | 119.7° | 119.9° |
| C8 | C9 | C10 | N2 | 176.9° | 176.8° |
| C8 | C9 | O3 | H11 | 120.7° | 120.2° |
| C8 | C9 | O3 | C19 | 76.6° | 90.0° |
| C9 | C8 | O4 | H10 | 118.5° | 120.0° |
| C9 | C8 | O4 | C20 | 54.7° | 61.2° |
| C8 | C9 | C10 | C22 | 57.8° | 57.0° |
| C9 | C8 | C7 | H8 | 53.0° | 65.0° |
| C9 | C8 | C7 | H9 | 65.4° | 55.0° |
| C8 | C9 | C10 | H12 | 58.6° | 63.0° |
| C9 | C10 | N2 | C22 | 123.9° | 119.5° |
| C9 | C10 | N2 | H12 | 117.8° | 120.2° |
| C9 | C10 | N2 | N3 | 118.6° | 95.2° |
| C10 | C9 | O3 | H11 | 121.1° | 120.1° |
| C10 | C9 | O3 | C19 | 165.2° | 150.3° |
| C10 | C9 | C8 | O4 | 53.7° | 57.6° |
| C9 | C10 | C22 | C20 | 59.8° | 57.0° |
| C9 | C10 | C22 | O6 | 62.5° | 62.9° |
| C9 | C10 | C22 | H12 | 116.4° | 119.9° |
| C9 | C10 | N2 | C18 | 57.8° | 84.8° |
| C10 | C9 | C8 | H10 | 173.0° | 177.7° |
| C9 | C10 | C22 | H23 | 178.0° | 176.9° |
| C10 | N2 | N3 | C18 | 177.0° | 180.0° |
| C10 | N2 | N3 | N4 | 178.4° | 180.0° |
| C10 | N2 | C18 | C11 | 178.3° | 179.9° |
| N2 | C10 | C9 | O3 | 58.6° | 63.3° |
| N2 | C10 | C22 | C20 | 175.5° | 176.9° |
| N2 | C10 | C22 | O6 | 62.2° | 56.9° |
| N2 | C10 | C22 | H12 | 118.8° | 120.3° |
| N2 | C10 | C22 | H23 | 57.2° | 63.3° |
| N2 | C10 | C9 | H11 | 63.4° | 56.9° |
| C10 | N2 | C18 | H15 | 1.7° | 0.0° |
| N2 | N3 | N4 | C11 | 0.5° | 0.0° |
| N3 | N2 | C18 | C11 | 1.7° | 0.0° |
| N3 | N2 | C10 | C22 | 117.5° | 145.3° |
| N3 | N2 | C10 | H12 | 0.8° | 25.0° |
| N3 | N2 | C18 | H15 | 178.3° | 180.0° |
| N3 | N4 | C11 | C12 | 179.4° | 180.0° |
| N3 | N4 | C11 | C18 | 0.5° | 0.1° |
| N4 | N3 | N2 | C18 | 1.4° | 0.0° |
| N4 | C11 | C12 | C18 | 179.9° | 179.9° |
| N4 | C11 | C12 | C13 | 23.2° | 0.1° |
| N4 | C11 | C12 | C17 | 153.8° | 179.9° |
| N4 | C11 | C18 | N2 | 1.3° | 0.1° |
| N4 | C11 | C18 | H15 | 178.6° | 180.0° |
| C11 | C12 | C13 | C17 | 177.2° | 180.0° |
| C11 | C12 | C13 | C14 | 179.4° | 179.7° |
| C11 | C12 | C17 | F2 | 2.5° | 0.0° |
| C12 | C11 | C18 | N2 | 178.6° | 180.0° |
| C11 | C12 | C17 | C16 | 179.3° | 179.5° |
| C11 | C12 | C13 | H13 | 0.6° | 0.0° |
| C12 | C11 | C18 | H15 | 1.4° | 0.1° |
| C12 | C13 | C14 | H13 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 2.1° | 0.0° |
| C13 | C12 | C17 | F2 | 179.6° | 180.0° |
| C13 | C12 | C11 | C18 | 156.9° | 179.9° |
| C13 | C12 | C17 | C16 | 2.2° | 0.5° |
| C12 | C13 | C14 | H14 | 177.9° | 180.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | CL1 | 179.5° | 180.0° |
| C13 | C14 | C15 | C16 | 1.8° | 0.0° |
| C14 | C13 | C12 | C17 | 2.2° | 0.3° |
| C14 | C15 | CL1 | C16 | 177.7° | 180.0° |
| C14 | C15 | C16 | F1 | 179.8° | 180.0° |
| C14 | C15 | C16 | C17 | 1.8° | 0.2° |
| C15 | C14 | C13 | H13 | 177.9° | 179.7° |
| CL1 | C15 | C16 | F1 | 2.6° | 0.0° |
| CL1 | C15 | C16 | C17 | 179.5° | 179.8° |
| CL1 | C15 | C14 | H14 | 0.5° | 0.0° |
| C15 | C16 | F1 | C17 | 178.0° | 179.8° |
| C15 | C16 | C17 | C12 | 2.1° | 0.5° |
| C15 | C16 | C17 | F2 | 179.6° | 180.0° |
| C16 | C15 | C14 | H14 | 178.1° | 180.0° |
| F1 | C16 | C17 | C12 | 179.9° | 179.7° |
| F1 | C16 | C17 | F2 | 1.6° | 0.2° |
| C12 | C17 | F2 | C16 | 178.3° | 179.5° |
| C17 | C12 | C11 | C18 | 26.1° | 0.1° |
| C17 | C12 | C13 | H13 | 177.8° | 180.0° |
| C11 | C18 | N2 | H15 | 180.0° | 179.9° |
| O3 | C9 | C8 | O4 | 171.9° | 177.5° |
| O3 | C9 | C10 | C22 | 176.0° | 176.9° |
| O3 | C9 | C8 | H10 | 68.8° | 62.4° |
| O3 | C9 | C10 | H12 | 59.7° | 56.9° |
| C9 | O3 | C19 | H17 | 180.0° | 60.0° |
| C9 | O3 | C19 | H18 | 60.0° | 60.0° |
| C9 | O3 | C19 | H16 | 60.0° | 180.0° |
| C19 | O3 | C9 | H11 | 44.1° | 30.2° |
| O3 | C19 | H17 | H18 | 120.0° | 120.0° |
| O3 | C19 | H17 | H16 | 120.0° | 120.1° |
| O3 | C19 | H18 | H16 | 120.0° | 120.0° |
| C8 | O4 | C20 | C21 | 174.0° | 178.9° |
| C8 | O4 | C20 | C22 | 55.6° | 61.2° |
| O4 | C8 | C7 | H8 | 69.8° | 55.0° |
| O4 | C8 | C7 | H9 | 171.7° | 175.0° |
| C8 | O4 | C20 | H19 | 65.1° | 58.9° |
| O4 | C8 | C9 | H11 | 66.2° | 62.3° |
| O4 | C20 | C21 | C22 | 119.2° | 119.9° |
| O4 | C20 | C21 | H19 | 121.3° | 120.0° |
| O4 | C20 | C21 | O5 | 65.0° | 65.1° |
| O4 | C20 | C22 | H19 | 121.3° | 120.0° |
| O4 | C20 | C22 | O6 | 65.9° | 62.3° |
| O4 | C20 | C22 | C10 | 55.8° | 57.7° |
| C20 | O4 | C8 | H10 | 173.2° | 178.8° |
| O4 | C20 | C21 | H20 | 175.3° | 175.0° |
| O4 | C20 | C21 | H21 | 54.6° | 55.0° |
| O4 | C20 | C22 | H23 | 173.9° | 177.5° |
| C20 | C21 | O5 | H20 | 119.6° | 119.9° |
| C20 | C21 | O5 | H21 | 119.6° | 120.1° |
| C21 | C20 | C22 | H19 | 119.5° | 120.0° |
| C21 | C20 | C22 | O6 | 53.3° | 57.7° |
| C21 | C20 | C22 | C10 | 175.0° | 177.6° |
| C20 | C21 | H20 | H21 | 121.0° | 120.0° |
| C21 | C20 | C22 | H23 | 66.9° | 62.6° |
| C20 | C21 | O5 | H22 | 180.0° | 180.0° |
| O5 | C21 | C20 | C22 | 175.8° | 175.0° |
| O5 | C21 | C20 | H19 | 56.3° | 55.0° |
| O5 | C21 | H20 | H21 | 121.0° | 120.0° |
| C20 | C22 | O6 | C10 | 121.5° | 119.7° |
| C20 | C22 | O6 | H23 | 119.7° | 120.2° |
| C20 | C22 | C10 | H23 | 118.3° | 119.9° |
| C20 | C22 | C10 | H12 | 56.7° | 62.9° |
| C22 | C20 | C21 | H20 | 56.1° | 55.1° |
| C22 | C20 | C21 | H21 | 64.6° | 64.9° |
| C20 | C22 | O6 | H24 | 180.0° | 60.0° |
| O6 | C22 | C10 | H23 | 119.5° | 120.2° |
| O6 | C22 | C10 | H12 | 179.0° | 177.2° |
| O6 | C22 | C20 | H19 | 172.9° | 177.7° |
| C6 | C23 | C5 | H25 | 180.0° | 179.9° |
| C23 | C6 | C7 | H8 | 103.4° | 150.1° |
| C23 | C6 | C7 | H9 | 138.2° | 30.0° |
| C4 | C2 | C5 | C23 | 36.4° | 165.0° |
| C2 | C4 | H7 | H6 | 128.8° | 132.0° |
| C4 | C2 | C1 | H1 | 87.1° | 60.0° |
| C4 | C2 | C1 | H2 | 152.9° | 180.0° |
| C4 | C2 | C1 | H3 | 32.9° | 60.0° |
| C4 | C2 | C3 | H5 | 128.1° | 136.7° |
| C4 | C2 | C3 | H4 | 105.5° | 91.7° |
| C22 | C10 | N2 | C18 | 66.1° | 34.7° |
| C10 | C22 | C20 | H19 | 65.5° | 62.4° |
| C22 | C10 | C9 | H11 | 62.0° | 62.9° |
| C10 | C22 | O6 | H24 | 58.5° | 179.7° |
| C18 | N2 | C10 | H12 | 175.6° | 155.0° |
| H8 | C7 | C8 | H10 | 172.2° | 175.0° |
| H9 | C7 | C8 | H10 | 53.8° | 64.9° |
| H10 | C8 | C9 | H11 | 53.1° | 57.8° |
| H12 | C10 | C22 | H23 | 61.6° | 57.0° |
| H12 | C10 | C9 | H11 | 178.3° | 177.1° |
| H13 | C13 | C14 | H14 | 2.1° | 0.3° |
| H19 | C20 | C21 | H20 | 63.3° | 65.0° |
| H19 | C20 | C21 | H21 | 175.9° | 175.0° |
| H19 | C20 | C22 | H23 | 52.7° | 57.5° |
| H20 | C21 | O5 | H22 | 60.4° | 60.1° |
| H21 | C21 | O5 | H22 | 60.3° | 60.0° |
| H23 | C22 | O6 | H24 | 60.3° | 60.1° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H17 | C19 | H18 | H16 | 120.0° | 120.0° |
