A1BWT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C1 | doub | 1.21Å | 1.24Å | |
| C1 | O1 | sing | 1.34Å | 1.25Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| O3 | C3 | sing | 1.43Å | 1.42Å | |
| O4 | C4 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C4 | N1 | sing | 1.35Å | 1.34Å | |
| N1 | C5 | sing | 1.46Å | 1.45Å | |
| C5 | C13 | sing | 1.53Å | 1.54Å | |
| C5 | C7 | sing | 1.51Å | 1.53Å | |
| C21 | C20 | sing | 1.51Å | 1.51Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| N3 | C20 | sing | 1.35Å | 1.33Å | |
| N3 | C12 | sing | 1.47Å | 1.46Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | N2 | sing | 1.47Å | 1.45Å | |
| C20 | O6 | doub | 1.21Å | 1.24Å | |
| C14 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | N2 | sing | 1.35Å | 1.34Å | |
| C7 | O5 | doub | 1.21Å | 1.23Å | |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | 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 | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| C9 | H25 | sing | 1.09Å | 1.10Å | |
| C9 | H26 | sing | 1.09Å | 1.10Å | |
| N2 | H27 | sing | 0.97Å | 1.00Å | |
| O1 | H28 | sing | 0.97Å | 0.95Å | |
| O3 | H29 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | O1 | 123.7° | 120.0° |
| O2 | C1 | C2 | 115.6° | 120.0° |
| O1 | C1 | C2 | 120.7° | 120.0° |
| C1 | O1 | H28 | 109.5° | 117.1° |
| C1 | C2 | C3 | 116.9° | 109.5° |
| C1 | C2 | H22 | 107.6° | 109.5° |
| C1 | C2 | H23 | 107.6° | 109.5° |
| C2 | C3 | O3 | 112.6° | 109.5° |
| C2 | C3 | C4 | 105.7° | 109.5° |
| C3 | C2 | H22 | 107.6° | 109.5° |
| C3 | C2 | H23 | 107.6° | 109.5° |
| C2 | C3 | H24 | 107.9° | 109.5° |
| O3 | C3 | C4 | 113.4° | 109.5° |
| O3 | C3 | H24 | 109.2° | 109.5° |
| C3 | O3 | H29 | 109.5° | 114.0° |
| O4 | C4 | C3 | 121.5° | 120.0° |
| O4 | C4 | N1 | 123.3° | 120.0° |
| C3 | C4 | N1 | 115.2° | 120.0° |
| C4 | C3 | H24 | 107.8° | 109.4° |
| C4 | N1 | C5 | 124.0° | 120.0° |
| C4 | N1 | H1 | 118.0° | 120.0° |
| N1 | C5 | C13 | 109.2° | 109.5° |
| N1 | C5 | C7 | 107.8° | 109.5° |
| C5 | N1 | H1 | 118.0° | 120.0° |
| N1 | C5 | H3 | 109.9° | 109.5° |
| C13 | C5 | C7 | 112.3° | 109.5° |
| C5 | C13 | C14 | 114.5° | 109.5° |
| C13 | C5 | H3 | 108.7° | 109.4° |
| C5 | C13 | H8 | 108.2° | 109.5° |
| C5 | C13 | H9 | 108.2° | 109.5° |
| C5 | C7 | N2 | 117.7° | 120.0° |
| C5 | C7 | O5 | 120.0° | 120.0° |
| C7 | C5 | H3 | 108.8° | 109.5° |
| C21 | C20 | N3 | 116.4° | 120.0° |
| C21 | C20 | O6 | 121.7° | 120.0° |
| C20 | C21 | H12 | 109.5° | 109.5° |
| C20 | C21 | H13 | 109.5° | 109.5° |
| C20 | C21 | H14 | 109.5° | 109.5° |
| C13 | C14 | C15 | 120.9° | 120.0° |
| C13 | C14 | C19 | 120.7° | 120.0° |
| C14 | C13 | H8 | 108.2° | 109.4° |
| C14 | C13 | H9 | 108.2° | 109.4° |
| C11 | C10 | C9 | 117.7° | 109.5° |
| C10 | C11 | C12 | 113.0° | 109.5° |
| C11 | C10 | H6 | 107.4° | 109.4° |
| C11 | C10 | H7 | 107.4° | 109.4° |
| C10 | C11 | H15 | 108.6° | 109.5° |
| C10 | C11 | H16 | 108.6° | 109.5° |
| C10 | C9 | C8 | 113.9° | 109.4° |
| C9 | C10 | H6 | 107.4° | 109.5° |
| C9 | C10 | H7 | 107.4° | 109.5° |
| C10 | C9 | H25 | 108.3° | 109.5° |
| C10 | C9 | H26 | 108.3° | 109.5° |
| C20 | N3 | C12 | 125.3° | 120.0° |
| N3 | C20 | O6 | 121.9° | 120.0° |
| C20 | N3 | H2 | 117.3° | 120.0° |
| N3 | C12 | C11 | 112.2° | 109.4° |
| C12 | N3 | H2 | 117.3° | 120.0° |
| N3 | C12 | H17 | 108.8° | 109.5° |
| N3 | C12 | H18 | 108.8° | 109.5° |
| C12 | C11 | H15 | 108.6° | 109.5° |
| C12 | C11 | H16 | 108.6° | 109.5° |
| C11 | C12 | H17 | 108.8° | 109.4° |
| C11 | C12 | H18 | 108.8° | 109.5° |
| C14 | C15 | C16 | 120.7° | 120.1° |
| C15 | C14 | C19 | 118.4° | 119.9° |
| C14 | C15 | H10 | 119.6° | 120.0° |
| C15 | C16 | C17 | 120.2° | 120.0° |
| C16 | C15 | H10 | 119.7° | 120.0° |
| C15 | C16 | H19 | 119.9° | 120.0° |
| C9 | C8 | N2 | 112.5° | 109.4° |
| C9 | C8 | H4 | 108.7° | 109.5° |
| C9 | C8 | H5 | 108.7° | 109.5° |
| C8 | C9 | H25 | 108.4° | 109.5° |
| C8 | C9 | H26 | 108.4° | 109.5° |
| C8 | N2 | C7 | 129.1° | 120.0° |
| N2 | C8 | H4 | 108.7° | 109.5° |
| N2 | C8 | H5 | 108.7° | 109.5° |
| C8 | N2 | H27 | 115.4° | 120.0° |
| C14 | C19 | C18 | 120.6° | 120.0° |
| C14 | C19 | H21 | 119.7° | 120.0° |
| N2 | C7 | O5 | 122.3° | 120.0° |
| C7 | N2 | H27 | 115.4° | 120.0° |
| C16 | C17 | C18 | 120.0° | 120.0° |
| C16 | C17 | H11 | 120.0° | 120.0° |
| C17 | C16 | H19 | 119.9° | 120.0° |
| C19 | C18 | C17 | 120.2° | 120.0° |
| C19 | C18 | H20 | 119.9° | 120.0° |
| C18 | C19 | H21 | 119.7° | 119.9° |
| C18 | C17 | H11 | 120.0° | 120.0° |
| C17 | C18 | H20 | 119.9° | 120.0° |
| H4 | C8 | H5 | 109.5° | 109.5° |
| H6 | C10 | H7 | 109.5° | 109.6° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H12 | C21 | H13 | 109.5° | 109.5° |
| H12 | C21 | H14 | 109.5° | 109.4° |
| H13 | C21 | H14 | 109.4° | 109.5° |
| H15 | C11 | H16 | 109.5° | 109.4° |
| H17 | C12 | H18 | 109.5° | 109.5° |
| H22 | C2 | H23 | 109.5° | 109.5° |
| H25 | C9 | H26 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | O1 | C2 | 178.0° | 179.9° |
| O2 | C1 | C2 | C3 | 110.5° | 0.0° |
| O2 | C1 | C2 | H22 | 10.6° | 120.0° |
| O2 | C1 | C2 | H23 | 128.4° | 119.9° |
| O2 | C1 | O1 | H28 | 0.0° | 0.1° |
| O1 | C1 | C2 | C3 | 71.3° | 180.0° |
| O1 | C1 | C2 | H22 | 167.6° | 60.0° |
| O1 | C1 | C2 | H23 | 49.7° | 60.0° |
| C1 | C2 | C3 | H22 | 121.1° | 120.0° |
| C1 | C2 | C3 | H23 | 121.1° | 120.0° |
| C1 | C2 | C3 | O3 | 46.4° | 65.0° |
| C1 | C2 | C3 | C4 | 170.7° | 175.0° |
| C1 | C2 | H22 | H23 | 116.6° | 120.0° |
| C1 | C2 | C3 | H24 | 74.2° | 55.0° |
| C2 | C1 | O1 | H28 | 178.0° | 180.0° |
| C2 | C3 | O3 | C4 | 120.0° | 120.0° |
| C2 | C3 | O3 | H24 | 119.9° | 120.0° |
| C2 | C3 | C4 | O4 | 66.1° | 115.0° |
| C2 | C3 | C4 | H24 | 115.2° | 120.0° |
| C2 | C3 | C4 | N1 | 110.5° | 64.9° |
| C3 | C2 | H22 | H23 | 116.6° | 120.0° |
| C2 | C3 | O3 | H29 | 98.1° | 60.1° |
| O3 | C3 | C4 | O4 | 57.6° | 5.0° |
| O3 | C3 | C4 | H24 | 121.0° | 120.0° |
| O3 | C3 | C4 | N1 | 125.7° | 175.0° |
| O3 | C3 | C2 | H22 | 74.7° | 55.0° |
| O3 | C3 | C2 | H23 | 167.4° | 175.0° |
| O4 | C4 | C3 | N1 | 176.7° | 180.0° |
| O4 | C4 | N1 | C5 | 5.7° | 0.0° |
| O4 | C4 | N1 | H1 | 174.3° | 179.7° |
| O4 | C4 | C3 | H24 | 178.6° | 125.0° |
| C3 | C4 | N1 | C5 | 177.7° | 180.0° |
| C3 | C4 | N1 | H1 | 2.3° | 0.2° |
| C4 | C3 | C2 | H22 | 49.6° | 65.0° |
| C4 | C3 | C2 | H23 | 68.3° | 55.0° |
| C4 | C3 | O3 | H29 | 21.8° | 60.0° |
| C4 | N1 | C5 | H1 | 180.0° | 179.8° |
| C4 | N1 | C5 | C13 | 108.7° | 84.7° |
| C4 | N1 | C5 | C7 | 128.9° | 155.2° |
| C4 | N1 | C5 | H3 | 10.5° | 35.2° |
| N1 | C4 | C3 | H24 | 4.7° | 55.0° |
| N1 | C5 | C13 | C7 | 119.6° | 120.0° |
| N1 | C5 | C13 | H3 | 119.9° | 120.0° |
| N1 | C5 | C7 | H3 | 119.1° | 120.0° |
| N1 | C5 | C13 | C14 | 167.3° | 65.0° |
| N1 | C5 | C7 | N2 | 122.6° | 180.0° |
| N1 | C5 | C7 | O5 | 57.8° | 0.1° |
| N1 | C5 | C13 | H8 | 72.0° | 55.0° |
| N1 | C5 | C13 | H9 | 46.5° | 175.0° |
| C13 | C5 | C7 | H3 | 120.5° | 120.0° |
| C5 | C13 | C14 | H8 | 120.7° | 120.0° |
| C5 | C13 | C14 | H9 | 120.7° | 120.0° |
| C5 | C13 | C14 | C15 | 83.3° | 90.0° |
| C5 | C13 | C14 | C19 | 97.4° | 90.1° |
| C13 | C5 | C7 | N2 | 117.0° | 59.9° |
| C13 | C5 | C7 | O5 | 62.6° | 120.0° |
| C13 | C5 | N1 | H1 | 71.3° | 95.0° |
| C5 | C13 | H8 | H9 | 117.7° | 120.1° |
| C7 | C5 | C13 | C14 | 47.7° | 175.0° |
| C5 | C7 | N2 | C8 | 0.3° | 180.0° |
| C5 | C7 | N2 | O5 | 179.5° | 179.9° |
| C7 | C5 | N1 | H1 | 51.1° | 25.0° |
| C7 | C5 | C13 | H8 | 168.4° | 65.1° |
| C7 | C5 | C13 | H9 | 73.0° | 55.0° |
| C5 | C7 | N2 | H27 | 179.7° | 0.0° |
| C21 | C20 | N3 | O6 | 179.8° | 179.9° |
| C21 | C20 | N3 | C12 | 177.6° | 180.0° |
| C21 | C20 | N3 | H2 | 2.3° | 0.0° |
| C20 | C21 | H12 | H13 | 120.0° | 120.0° |
| C20 | C21 | H12 | H14 | 120.0° | 120.0° |
| C20 | C21 | H13 | H14 | 120.0° | 120.0° |
| C13 | C14 | C15 | C19 | 179.4° | 180.0° |
| C13 | C14 | C15 | C16 | 179.9° | 180.0° |
| C13 | C14 | C19 | C18 | 179.7° | 180.0° |
| C14 | C13 | C5 | H3 | 72.8° | 55.0° |
| C14 | C13 | H8 | H9 | 117.7° | 120.0° |
| C13 | C14 | C15 | H10 | 0.1° | 0.2° |
| C13 | C14 | C19 | H21 | 0.4° | 0.0° |
| C11 | C10 | C9 | H6 | 121.2° | 120.0° |
| C11 | C10 | C9 | H7 | 121.2° | 119.9° |
| C10 | C11 | C12 | N3 | 52.4° | 180.0° |
| C10 | C11 | C12 | H15 | 120.5° | 120.0° |
| C10 | C11 | C12 | H16 | 120.5° | 120.0° |
| C11 | C10 | C9 | C8 | 79.2° | 180.0° |
| C11 | C10 | H6 | H7 | 116.3° | 119.9° |
| C10 | C11 | H15 | H16 | 118.4° | 120.0° |
| C10 | C11 | C12 | H17 | 172.9° | 60.0° |
| C10 | C11 | C12 | H18 | 68.0° | 60.0° |
| C11 | C10 | C9 | H25 | 41.5° | 60.0° |
| C11 | C10 | C9 | H26 | 160.1° | 60.0° |
| C9 | C10 | C11 | C12 | 93.7° | 180.0° |
| C10 | C9 | C8 | H25 | 120.7° | 120.0° |
| C10 | C9 | C8 | H26 | 120.6° | 120.0° |
| C10 | C9 | C8 | N2 | 72.7° | 180.0° |
| C10 | C9 | C8 | H4 | 166.8° | 60.0° |
| C10 | C9 | C8 | H5 | 47.7° | 60.1° |
| C9 | C10 | H6 | H7 | 116.3° | 120.1° |
| C9 | C10 | C11 | H15 | 26.8° | 60.0° |
| C9 | C10 | C11 | H16 | 145.8° | 60.0° |
| C10 | C9 | H25 | H26 | 118.0° | 120.0° |
| C20 | N3 | C12 | H2 | 180.0° | 180.0° |
| C20 | N3 | C12 | C11 | 178.3° | 180.0° |
| N3 | C20 | C21 | H12 | 179.8° | 60.0° |
| N3 | C20 | C21 | H13 | 59.7° | 180.0° |
| N3 | C20 | C21 | H14 | 60.2° | 60.0° |
| C20 | N3 | C12 | H17 | 57.9° | 60.0° |
| C20 | N3 | C12 | H18 | 61.3° | 60.0° |
| N3 | C12 | C11 | H17 | 120.4° | 120.0° |
| N3 | C12 | C11 | H18 | 120.4° | 120.0° |
| C12 | N3 | C20 | O6 | 2.6° | 0.0° |
| N3 | C12 | C11 | H15 | 173.0° | 60.0° |
| N3 | C12 | C11 | H16 | 68.1° | 60.0° |
| N3 | C12 | H17 | H18 | 118.7° | 120.0° |
| C11 | C12 | N3 | H2 | 1.7° | 0.0° |
| C12 | C11 | C10 | H6 | 27.4° | 60.0° |
| C12 | C11 | C10 | H7 | 145.1° | 60.0° |
| C12 | C11 | H15 | H16 | 118.4° | 120.0° |
| C11 | C12 | H17 | H18 | 118.7° | 120.0° |
| C14 | C15 | C16 | H10 | 180.0° | 179.8° |
| C14 | C15 | C16 | C17 | 0.4° | 0.0° |
| C15 | C14 | C19 | C18 | 0.3° | 0.0° |
| C15 | C14 | C13 | H8 | 37.4° | 30.0° |
| C15 | C14 | C13 | H9 | 156.0° | 150.0° |
| C14 | C15 | C16 | H19 | 179.6° | 180.0° |
| C15 | C14 | C19 | H21 | 179.7° | 180.0° |
| C16 | C15 | C14 | C19 | 0.5° | 0.0° |
| C15 | C16 | C17 | H19 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C15 | C16 | C17 | H11 | 179.9° | 179.9° |
| C9 | C8 | N2 | H4 | 120.5° | 120.0° |
| C9 | C8 | N2 | H5 | 120.4° | 120.0° |
| C9 | C8 | N2 | C7 | 137.0° | 180.0° |
| C9 | C8 | H4 | H5 | 118.6° | 120.0° |
| C8 | C9 | C10 | H6 | 159.6° | 60.0° |
| C8 | C9 | C10 | H7 | 41.9° | 60.1° |
| C8 | C9 | H25 | H26 | 118.0° | 120.0° |
| C9 | C8 | N2 | H27 | 43.0° | 0.0° |
| C8 | N2 | C7 | H27 | 180.0° | 180.0° |
| C8 | N2 | C7 | O5 | 179.3° | 0.1° |
| N2 | C8 | H4 | H5 | 118.6° | 120.0° |
| N2 | C8 | C9 | H25 | 48.0° | 60.0° |
| N2 | C8 | C9 | H26 | 166.7° | 60.0° |
| O6 | C20 | N3 | H2 | 177.4° | 180.0° |
| O6 | C20 | C21 | H12 | 0.0° | 120.0° |
| O6 | C20 | C21 | H13 | 120.0° | 0.0° |
| O6 | C20 | C21 | H14 | 120.0° | 120.0° |
| C14 | C19 | C18 | H21 | 180.0° | 180.0° |
| C14 | C19 | C18 | C17 | 0.1° | 0.0° |
| C19 | C14 | C13 | H8 | 141.9° | 150.0° |
| C19 | C14 | C13 | H9 | 23.4° | 30.0° |
| C19 | C14 | C15 | H10 | 179.5° | 179.8° |
| C14 | C19 | C18 | H20 | 179.9° | 179.9° |
| N2 | C7 | C5 | H3 | 3.5° | 60.0° |
| C7 | N2 | C8 | H4 | 102.5° | 60.0° |
| C7 | N2 | C8 | H5 | 16.5° | 60.1° |
| O5 | C7 | C5 | H3 | 177.0° | 120.1° |
| O5 | C7 | N2 | H27 | 0.7° | 179.9° |
| C16 | C17 | C18 | C19 | 0.2° | 0.0° |
| C16 | C17 | C18 | H11 | 180.0° | 179.9° |
| C17 | C16 | C15 | H10 | 179.6° | 179.8° |
| C16 | C17 | C18 | H20 | 179.8° | 179.9° |
| C19 | C18 | C17 | H20 | 180.0° | 179.9° |
| C19 | C18 | C17 | H11 | 179.8° | 179.9° |
| C18 | C17 | C16 | H19 | 179.9° | 180.0° |
| C17 | C18 | C19 | H21 | 179.9° | 180.0° |
| H1 | N1 | C5 | H3 | 169.5° | 145.0° |
| H2 | N3 | C12 | H17 | 122.1° | 120.0° |
| H2 | N3 | C12 | H18 | 118.7° | 120.0° |
| H3 | C5 | C13 | H8 | 47.9° | 175.0° |
| H3 | C5 | C13 | H9 | 166.4° | 65.0° |
| H4 | C8 | C9 | H25 | 72.5° | 60.0° |
| H4 | C8 | C9 | H26 | 46.2° | 180.0° |
| H4 | C8 | N2 | H27 | 77.4° | 120.0° |
| H5 | C8 | C9 | H25 | 168.4° | 180.0° |
| H5 | C8 | C9 | H26 | 72.9° | 60.0° |
| H5 | C8 | N2 | H27 | 163.5° | 119.9° |
| H6 | C10 | C11 | H15 | 148.0° | 60.0° |
| H6 | C10 | C11 | H16 | 93.1° | 180.0° |
| H6 | C10 | C9 | H25 | 79.7° | 60.0° |
| H6 | C10 | C9 | H26 | 39.0° | 179.9° |
| H7 | C10 | C11 | H15 | 94.4° | 180.0° |
| H7 | C10 | C11 | H16 | 24.6° | 60.0° |
| H7 | C10 | C9 | H25 | 162.6° | 179.9° |
| H7 | C10 | C9 | H26 | 78.7° | 59.9° |
| H10 | C15 | C16 | H19 | 0.4° | 0.2° |
| H11 | C17 | C16 | H19 | 0.1° | 0.1° |
| H11 | C17 | C18 | H20 | 0.2° | 0.0° |
| H12 | C21 | H13 | H14 | 120.0° | 120.0° |
| H15 | C11 | C12 | H17 | 66.6° | 60.0° |
| H15 | C11 | C12 | H18 | 52.6° | 180.0° |
| H16 | C11 | C12 | H17 | 52.3° | 180.0° |
| H16 | C11 | C12 | H18 | 171.5° | 60.0° |
| H20 | C18 | C19 | H21 | 0.1° | 0.1° |
| H22 | C2 | C3 | H24 | 164.7° | 175.0° |
| H23 | C2 | C3 | H24 | 46.8° | 65.0° |
| H24 | C3 | O3 | H29 | 142.0° | 179.9° |
