A1DQB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C10 | sing | 1.53Å | 1.54Å | |
| C01 | N02 | sing | 1.46Å | 1.45Å | |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| O1 | C1 | doub | 1.22Å | 1.19Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| N02 | C1 | sing | 1.35Å | 1.45Å | |
| C1 | C05 | sing | 1.48Å | 1.53Å | |
| C08 | C07 | sing | 1.53Å | 1.53Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| C05 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C29 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| O18 | C17 | sing | 1.36Å | 1.40Å | |
| C17 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.40Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.43Å | Aromatic |
| C16 | C15 | doub | 1.36Å | 1.39Å | Aromatic |
| C20 | O21 | sing | 1.35Å | 1.39Å | |
| C20 | C14 | doub | 1.41Å | 1.37Å | Aromatic |
| O21 | C22 | sing | 1.35Å | 1.39Å | |
| C15 | C14 | sing | 1.40Å | 1.42Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.47Å | 1.43Å | |
| C22 | C23 | doub | 1.38Å | 1.43Å | |
| C22 | C28 | sing | 1.42Å | 1.37Å | |
| C23 | C24 | sing | 1.40Å | 1.39Å | |
| C12 | C13 | sing | 1.47Å | 1.39Å | |
| C12 | C4 | doub | 1.41Å | 1.39Å | Aromatic |
| C13 | C28 | doub | 1.41Å | 1.43Å | |
| C28 | C27 | sing | 1.41Å | 1.43Å | |
| C24 | O25 | doub | 1.23Å | 1.18Å | |
| C24 | C26 | sing | 1.41Å | 1.40Å | |
| C27 | C26 | doub | 1.36Å | 1.39Å | |
| C06 | N05 | sing | 1.47Å | 1.45Å | |
| N05 | C03 | sing | 1.35Å | 1.45Å | |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.48Å | 1.53Å | |
| C03 | C02 | sing | 1.51Å | 1.53Å | |
| C03 | O04 | doub | 1.21Å | 1.19Å | |
| C5 | O10 | doub | 1.21Å | 1.26Å | |
| C5 | O11 | sing | 1.35Å | 1.26Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.08Å | 1.08Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| N05 | H19 | sing | 0.97Å | 1.00Å | |
| C01 | H20 | sing | 1.09Å | 1.10Å | |
| C01 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C27 | H25 | sing | 1.08Å | 1.08Å | |
| C29 | H26 | sing | 1.08Å | 1.08Å | |
| N02 | H27 | sing | 0.97Å | 1.00Å | |
| O11 | H28 | sing | 0.97Å | 0.95Å | |
| O18 | H29 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C01 | N02 | 109.5° | 109.5° |
| C01 | C10 | C09 | 147.9° | 109.5° |
| C01 | C10 | H17 | 99.2° | 109.5° |
| C01 | C10 | H18 | 99.2° | 109.4° |
| C10 | C01 | H20 | 109.5° | 109.5° |
| C10 | C01 | H21 | 109.5° | 109.4° |
| C01 | N02 | C1 | 120.5° | 120.0° |
| N02 | C01 | H20 | 109.5° | 109.5° |
| N02 | C01 | H21 | 109.5° | 109.5° |
| C01 | N02 | H27 | 119.8° | 120.1° |
| C10 | C09 | C08 | 109.7° | 109.5° |
| C10 | C09 | H15 | 109.4° | 109.5° |
| C10 | C09 | H16 | 109.4° | 109.4° |
| C09 | C10 | H17 | 99.2° | 109.5° |
| C09 | C10 | H18 | 99.2° | 109.5° |
| O1 | C1 | N02 | 120.1° | 119.9° |
| O1 | C1 | C05 | 120.0° | 120.0° |
| C09 | C08 | C07 | 109.7° | 109.5° |
| C09 | C08 | H13 | 109.4° | 109.5° |
| C09 | C08 | H14 | 109.4° | 109.5° |
| C08 | C09 | H15 | 109.4° | 109.5° |
| C08 | C09 | H16 | 109.4° | 109.5° |
| N02 | C1 | C05 | 119.9° | 120.0° |
| C1 | N02 | H27 | 119.7° | 119.9° |
| C1 | C05 | C29 | 119.7° | 120.0° |
| C1 | C05 | C2 | 119.9° | 119.9° |
| C08 | C07 | C06 | 109.9° | 109.5° |
| C08 | C07 | H11 | 109.3° | 109.5° |
| C08 | C07 | H12 | 109.3° | 109.5° |
| C07 | C08 | H13 | 109.4° | 109.5° |
| C07 | C08 | H14 | 109.4° | 109.5° |
| C07 | C06 | N05 | 109.2° | 109.5° |
| C07 | C06 | H9 | 109.5° | 109.5° |
| C07 | C06 | H10 | 109.5° | 109.5° |
| C06 | C07 | H11 | 109.4° | 109.5° |
| C06 | C07 | H12 | 109.4° | 109.5° |
| C29 | C05 | C2 | 119.9° | 120.1° |
| C05 | C29 | C12 | 120.2° | 119.9° |
| C05 | C29 | H26 | 119.9° | 120.1° |
| C05 | C2 | C3 | 120.0° | 120.4° |
| C05 | C2 | H1 | 120.0° | 119.8° |
| C29 | C12 | C13 | 119.8° | 120.2° |
| C29 | C12 | C4 | 119.9° | 119.7° |
| C12 | C29 | H26 | 119.9° | 120.0° |
| O18 | C17 | C19 | 120.1° | 119.7° |
| O18 | C17 | C16 | 119.9° | 119.7° |
| C17 | O18 | H29 | 109.5° | 114.0° |
| C19 | C17 | C16 | 120.0° | 120.6° |
| C17 | C19 | C20 | 120.0° | 119.9° |
| C17 | C19 | H22 | 120.0° | 120.0° |
| C17 | C16 | C15 | 120.1° | 120.4° |
| C17 | C16 | H4 | 120.0° | 119.8° |
| C19 | C20 | O21 | 119.3° | 120.3° |
| C19 | C20 | C14 | 120.0° | 119.2° |
| C20 | C19 | H22 | 120.0° | 120.1° |
| C16 | C15 | C14 | 120.0° | 119.8° |
| C16 | C15 | H3 | 120.0° | 120.1° |
| C15 | C16 | H4 | 119.9° | 119.8° |
| O21 | C20 | C14 | 120.7° | 120.5° |
| C20 | O21 | C22 | 120.9° | 122.4° |
| C20 | C14 | C15 | 119.9° | 120.2° |
| C20 | C14 | C13 | 119.6° | 119.0° |
| O21 | C22 | C23 | 119.7° | 119.7° |
| O21 | C22 | C28 | 120.3° | 121.0° |
| C15 | C14 | C13 | 120.6° | 120.8° |
| C14 | C15 | H3 | 120.0° | 120.1° |
| C2 | C3 | C4 | 120.1° | 120.1° |
| C3 | C2 | H1 | 120.0° | 119.8° |
| C2 | C3 | H2 | 119.9° | 120.0° |
| C14 | C13 | C12 | 120.6° | 121.2° |
| C14 | C13 | C28 | 118.6° | 117.6° |
| C23 | C22 | C28 | 120.0° | 119.3° |
| C22 | C23 | C24 | 120.0° | 119.9° |
| C22 | C23 | H23 | 120.0° | 120.1° |
| C22 | C28 | C13 | 120.0° | 119.5° |
| C22 | C28 | C27 | 119.9° | 120.2° |
| C23 | C24 | O25 | 119.9° | 119.8° |
| C23 | C24 | C26 | 120.1° | 120.4° |
| C24 | C23 | H23 | 120.0° | 120.0° |
| C13 | C12 | C4 | 120.3° | 120.2° |
| C12 | C13 | C28 | 120.8° | 121.2° |
| C12 | C4 | C3 | 119.9° | 119.9° |
| C12 | C4 | C5 | 120.0° | 120.1° |
| C13 | C28 | C27 | 120.1° | 120.3° |
| C28 | C27 | C26 | 120.0° | 120.0° |
| C28 | C27 | H25 | 120.0° | 120.0° |
| O25 | C24 | C26 | 120.0° | 119.8° |
| C24 | C26 | C27 | 120.0° | 120.2° |
| C24 | C26 | H5 | 120.0° | 119.9° |
| C27 | C26 | H5 | 120.0° | 119.9° |
| C26 | C27 | H25 | 120.0° | 120.0° |
| C06 | N05 | C03 | 120.2° | 120.0° |
| N05 | C06 | H9 | 109.6° | 109.5° |
| N05 | C06 | H10 | 109.6° | 109.5° |
| C06 | N05 | H19 | 119.9° | 120.0° |
| N05 | C03 | C02 | 119.9° | 120.0° |
| N05 | C03 | O04 | 120.0° | 120.0° |
| C03 | N05 | H19 | 119.9° | 119.9° |
| C3 | C4 | C5 | 120.0° | 120.0° |
| C4 | C3 | H2 | 120.0° | 119.9° |
| C4 | C5 | O10 | 120.1° | 120.0° |
| C4 | C5 | O11 | 120.1° | 120.0° |
| C02 | C03 | O04 | 120.1° | 120.0° |
| C03 | C02 | H6 | 109.5° | 109.5° |
| C03 | C02 | H7 | 109.5° | 109.5° |
| C03 | C02 | H8 | 109.5° | 109.5° |
| O10 | C5 | O11 | 119.7° | 120.0° |
| C5 | O11 | H28 | 109.5° | 117.0° |
| H6 | C02 | H7 | 109.4° | 109.5° |
| H6 | C02 | H8 | 109.5° | 109.4° |
| H7 | C02 | H8 | 109.5° | 109.5° |
| H9 | C06 | H10 | 109.5° | 109.5° |
| H11 | C07 | H12 | 109.5° | 109.5° |
| H13 | C08 | H14 | 109.5° | 109.5° |
| H15 | C09 | H16 | 109.4° | 109.5° |
| H17 | C10 | H18 | 109.5° | 109.4° |
| H20 | C01 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C01 | N02 | H20 | 120.0° | 120.0° |
| C10 | C01 | N02 | H21 | 120.0° | 120.0° |
| C01 | C10 | C09 | H17 | 124.2° | 120.0° |
| C01 | C10 | C09 | H18 | 124.2° | 120.0° |
| C01 | C10 | C09 | C08 | 48.3° | 180.0° |
| C10 | C01 | N02 | C1 | 128.3° | 179.9° |
| C01 | C10 | C09 | H15 | 168.3° | 60.0° |
| C01 | C10 | C09 | H16 | 71.8° | 60.0° |
| C01 | C10 | H17 | H18 | 103.2° | 119.9° |
| C10 | C01 | H20 | H21 | 120.0° | 120.0° |
| C10 | C01 | N02 | H27 | 51.6° | 0.0° |
| N02 | C01 | C10 | C09 | 33.1° | 180.0° |
| C01 | N02 | C1 | O1 | 0.0° | 0.2° |
| C01 | N02 | C1 | H27 | 180.0° | 179.9° |
| C01 | N02 | C1 | C05 | 180.0° | 180.0° |
| N02 | C01 | C10 | H17 | 91.1° | 60.0° |
| N02 | C01 | C10 | H18 | 157.3° | 60.0° |
| N02 | C01 | H20 | H21 | 120.0° | 120.0° |
| C10 | C09 | C08 | H15 | 120.0° | 120.0° |
| C10 | C09 | C08 | H16 | 120.0° | 120.0° |
| C10 | C09 | C08 | C07 | 73.3° | 180.0° |
| C10 | C09 | C08 | H13 | 166.6° | 60.0° |
| C10 | C09 | C08 | H14 | 46.7° | 60.0° |
| C10 | C09 | H15 | H16 | 119.9° | 120.0° |
| C09 | C10 | H17 | H18 | 103.3° | 120.0° |
| C09 | C10 | C01 | H20 | 86.9° | 60.0° |
| C09 | C10 | C01 | H21 | 153.1° | 60.0° |
| O1 | C1 | N02 | C05 | 180.0° | 179.8° |
| O1 | C1 | C05 | C29 | 70.2° | 0.2° |
| O1 | C1 | C05 | C2 | 118.4° | 179.3° |
| O1 | C1 | N02 | H27 | 180.0° | 179.7° |
| C09 | C08 | C07 | H13 | 120.0° | 120.0° |
| C09 | C08 | C07 | H14 | 120.0° | 120.0° |
| C09 | C08 | C07 | C06 | 171.3° | 180.0° |
| C09 | C08 | C07 | H11 | 51.3° | 60.0° |
| C09 | C08 | C07 | H12 | 68.6° | 60.0° |
| C09 | C08 | H13 | H14 | 119.9° | 120.0° |
| C08 | C09 | H15 | H16 | 119.9° | 120.1° |
| C08 | C09 | C10 | H17 | 75.9° | 60.0° |
| C08 | C09 | C10 | H18 | 172.4° | 60.0° |
| N02 | C1 | C05 | C29 | 109.8° | 180.0° |
| N02 | C1 | C05 | C2 | 61.6° | 0.5° |
| C1 | N02 | C01 | H20 | 8.4° | 60.0° |
| C1 | N02 | C01 | H21 | 111.6° | 60.0° |
| C1 | C05 | C29 | C2 | 171.4° | 179.5° |
| C1 | C05 | C29 | C12 | 171.3° | 180.0° |
| C1 | C05 | C2 | C3 | 171.4° | 180.0° |
| C1 | C05 | C2 | H1 | 8.6° | 0.3° |
| C1 | C05 | C29 | H26 | 8.7° | 0.0° |
| C05 | C1 | N02 | H27 | 0.0° | 0.1° |
| C08 | C07 | C06 | H11 | 120.1° | 120.0° |
| C08 | C07 | C06 | H12 | 120.0° | 120.0° |
| C08 | C07 | C06 | N05 | 148.3° | 180.0° |
| C08 | C07 | C06 | H9 | 28.3° | 60.0° |
| C08 | C07 | C06 | H10 | 91.8° | 60.0° |
| C08 | C07 | H11 | H12 | 119.8° | 120.0° |
| C07 | C08 | H13 | H14 | 119.9° | 120.0° |
| C07 | C08 | C09 | H15 | 46.7° | 60.0° |
| C07 | C08 | C09 | H16 | 166.6° | 60.0° |
| C07 | C06 | N05 | H9 | 120.0° | 120.0° |
| C07 | C06 | N05 | H10 | 119.9° | 120.0° |
| C07 | C06 | N05 | C03 | 169.1° | 180.0° |
| C07 | C06 | H9 | H10 | 120.1° | 120.0° |
| C06 | C07 | H11 | H12 | 119.9° | 120.0° |
| C06 | C07 | C08 | H13 | 68.6° | 60.0° |
| C06 | C07 | C08 | H14 | 51.3° | 60.0° |
| C07 | C06 | N05 | H19 | 10.9° | 0.1° |
| C05 | C29 | C12 | H26 | 180.0° | 180.0° |
| C29 | C05 | C2 | C3 | 0.0° | 0.5° |
| C05 | C29 | C12 | C13 | 178.4° | 179.7° |
| C05 | C29 | C12 | C4 | 0.1° | 0.2° |
| C29 | C05 | C2 | H1 | 180.0° | 179.8° |
| C2 | C05 | C29 | C12 | 0.0° | 0.5° |
| C05 | C2 | C3 | H1 | 180.0° | 179.8° |
| C05 | C2 | C3 | C4 | 0.0° | 0.2° |
| C05 | C2 | C3 | H2 | 179.9° | 179.7° |
| C2 | C05 | C29 | H26 | 180.0° | 179.5° |
| C29 | C12 | C13 | C14 | 88.5° | 75.0° |
| C29 | C12 | C13 | C4 | 178.4° | 180.0° |
| C29 | C12 | C13 | C28 | 89.3° | 105.0° |
| C29 | C12 | C4 | C3 | 0.0° | 0.0° |
| C29 | C12 | C4 | C5 | 176.1° | 180.0° |
| O18 | C17 | C19 | C16 | 180.0° | 179.9° |
| O18 | C17 | C19 | C20 | 180.0° | 179.8° |
| O18 | C17 | C16 | C15 | 180.0° | 180.0° |
| O18 | C17 | C16 | H4 | 0.0° | 0.0° |
| O18 | C17 | C19 | H22 | 0.0° | 0.0° |
| C17 | C19 | C20 | H22 | 180.0° | 179.8° |
| C19 | C17 | C16 | C15 | 0.0° | 0.1° |
| C17 | C19 | C20 | O21 | 180.0° | 179.9° |
| C17 | C19 | C20 | C14 | 0.1° | 0.4° |
| C19 | C17 | C16 | H4 | 180.0° | 179.9° |
| C19 | C17 | O18 | H29 | 180.0° | 90.0° |
| C16 | C17 | C19 | C20 | 0.0° | 0.2° |
| C17 | C16 | C15 | H4 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.0° | 0.1° |
| C17 | C16 | C15 | H3 | 180.0° | 179.8° |
| C16 | C17 | C19 | H22 | 180.0° | 180.0° |
| C16 | C17 | O18 | H29 | 0.0° | 90.0° |
| C19 | C20 | O21 | C14 | 179.9° | 179.5° |
| C19 | C20 | O21 | C22 | 179.9° | 179.5° |
| C19 | C20 | C14 | C15 | 0.1° | 0.4° |
| C19 | C20 | C14 | C13 | 180.0° | 179.5° |
| C16 | C15 | C14 | C20 | 0.0° | 0.2° |
| C16 | C15 | C14 | H3 | 180.0° | 179.8° |
| C16 | C15 | C14 | C13 | 180.0° | 179.7° |
| O21 | C20 | C14 | C15 | 180.0° | 179.9° |
| O21 | C20 | C14 | C13 | 0.0° | 0.0° |
| C20 | O21 | C22 | C23 | 180.0° | 180.0° |
| C20 | O21 | C22 | C28 | 0.1° | 0.0° |
| O21 | C20 | C19 | H22 | 0.0° | 0.3° |
| C14 | C20 | O21 | C22 | 0.0° | 0.0° |
| C20 | C14 | C15 | C13 | 180.0° | 179.9° |
| C20 | C14 | C13 | C12 | 177.9° | 179.9° |
| C20 | C14 | C13 | C28 | 0.0° | 0.0° |
| C20 | C14 | C15 | H3 | 180.0° | 180.0° |
| C14 | C20 | C19 | H22 | 179.9° | 179.8° |
| O21 | C22 | C23 | C28 | 180.0° | 180.0° |
| O21 | C22 | C23 | C24 | 180.0° | 180.0° |
| O21 | C22 | C28 | C13 | 0.1° | 0.0° |
| O21 | C22 | C28 | C27 | 180.0° | 180.0° |
| O21 | C22 | C23 | H23 | 0.0° | 0.0° |
| C15 | C14 | C13 | C12 | 2.1° | 0.0° |
| C15 | C14 | C13 | C28 | 180.0° | 179.9° |
| C14 | C15 | C16 | H4 | 180.0° | 179.9° |
| C2 | C3 | C4 | C12 | 0.0° | 0.0° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 176.1° | 180.0° |
| C14 | C13 | C28 | C22 | 0.1° | 0.0° |
| C14 | C13 | C12 | C28 | 177.8° | 179.9° |
| C14 | C13 | C12 | C4 | 89.9° | 105.0° |
| C14 | C13 | C28 | C27 | 180.0° | 179.9° |
| C13 | C14 | C15 | H3 | 0.0° | 0.1° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C23 | C22 | C28 | C13 | 180.0° | 180.0° |
| C23 | C22 | C28 | C27 | 0.0° | 0.1° |
| C22 | C23 | C24 | O25 | 180.0° | 180.0° |
| C22 | C23 | C24 | C26 | 0.0° | 0.1° |
| C28 | C22 | C23 | C24 | 0.0° | 0.0° |
| C22 | C28 | C13 | C12 | 177.9° | 180.0° |
| C22 | C28 | C13 | C27 | 180.0° | 179.9° |
| C22 | C28 | C27 | C26 | 0.0° | 0.2° |
| C28 | C22 | C23 | H23 | 180.0° | 180.0° |
| C22 | C28 | C27 | H25 | 180.0° | 180.0° |
| C23 | C24 | O25 | C26 | 180.0° | 179.9° |
| C23 | C24 | C26 | C27 | 0.0° | 0.2° |
| C23 | C24 | C26 | H5 | 180.0° | 180.0° |
| C12 | C13 | C28 | C27 | 2.1° | 0.1° |
| C13 | C12 | C4 | C3 | 178.4° | 180.0° |
| C13 | C12 | C4 | C5 | 2.3° | 0.0° |
| C13 | C12 | C29 | H26 | 1.6° | 0.3° |
| C4 | C12 | C13 | C28 | 92.2° | 75.1° |
| C12 | C4 | C3 | C5 | 176.1° | 180.0° |
| C12 | C4 | C5 | O10 | 93.7° | 0.0° |
| C12 | C4 | C5 | O11 | 86.3° | 180.0° |
| C12 | C4 | C3 | H2 | 180.0° | 180.0° |
| C4 | C12 | C29 | H26 | 179.9° | 179.7° |
| C13 | C28 | C27 | C26 | 179.9° | 179.9° |
| C13 | C28 | C27 | H25 | 0.0° | 0.1° |
| C28 | C27 | C26 | C24 | 0.0° | 0.2° |
| C28 | C27 | C26 | H25 | 180.0° | 179.8° |
| C28 | C27 | C26 | H5 | 180.0° | 180.0° |
| O25 | C24 | C26 | C27 | 180.0° | 180.0° |
| O25 | C24 | C26 | H5 | 0.0° | 0.2° |
| O25 | C24 | C23 | H23 | 0.0° | 0.1° |
| C24 | C26 | C27 | H5 | 180.0° | 179.8° |
| C26 | C24 | C23 | H23 | 180.0° | 180.0° |
| C24 | C26 | C27 | H25 | 180.0° | 180.0° |
| C06 | N05 | C03 | H19 | 180.0° | 179.9° |
| C06 | N05 | C03 | C02 | 180.0° | 180.0° |
| C06 | N05 | C03 | O04 | 0.2° | 0.0° |
| N05 | C06 | H9 | H10 | 120.2° | 120.0° |
| N05 | C06 | C07 | H11 | 91.7° | 60.0° |
| N05 | C06 | C07 | H12 | 28.2° | 60.0° |
| N05 | C03 | C02 | O04 | 179.8° | 180.0° |
| N05 | C03 | C02 | H6 | 179.8° | 180.0° |
| N05 | C03 | C02 | H7 | 59.8° | 60.0° |
| N05 | C03 | C02 | H8 | 60.1° | 60.0° |
| C03 | N05 | C06 | H9 | 70.9° | 59.9° |
| C03 | N05 | C06 | H10 | 49.2° | 60.0° |
| C3 | C4 | C5 | O10 | 82.4° | 179.9° |
| C3 | C4 | C5 | O11 | 97.6° | 0.0° |
| C4 | C3 | C2 | H1 | 180.0° | 180.0° |
| C4 | C5 | O10 | O11 | 180.0° | 180.0° |
| C5 | C4 | C3 | H2 | 3.9° | 0.0° |
| C4 | C5 | O11 | H28 | 180.0° | 180.0° |
| C03 | C02 | H6 | H7 | 120.0° | 120.0° |
| C03 | C02 | H6 | H8 | 120.0° | 120.0° |
| C03 | C02 | H7 | H8 | 120.0° | 120.1° |
| C02 | C03 | N05 | H19 | 0.0° | 0.1° |
| O04 | C03 | C02 | H6 | 0.0° | 0.0° |
| O04 | C03 | C02 | H7 | 120.0° | 120.0° |
| O04 | C03 | C02 | H8 | 120.0° | 120.0° |
| O04 | C03 | N05 | H19 | 179.9° | 180.0° |
| O10 | C5 | O11 | H28 | 0.0° | 0.0° |
| H1 | C2 | C3 | H2 | 0.0° | 0.0° |
| H3 | C15 | C16 | H4 | 0.1° | 0.2° |
| H5 | C26 | C27 | H25 | 0.0° | 0.2° |
| H6 | C02 | H7 | H8 | 120.0° | 119.9° |
| H9 | C06 | C07 | H11 | 148.4° | 60.0° |
| H9 | C06 | C07 | H12 | 91.8° | 180.0° |
| H9 | C06 | N05 | H19 | 109.1° | 120.0° |
| H10 | C06 | C07 | H11 | 28.3° | 180.0° |
| H10 | C06 | C07 | H12 | 148.2° | 60.0° |
| H10 | C06 | N05 | H19 | 130.8° | 120.1° |
| H11 | C07 | C08 | H13 | 171.3° | 180.0° |
| H11 | C07 | C08 | H14 | 68.8° | 60.0° |
| H12 | C07 | C08 | H13 | 51.4° | 60.0° |
| H12 | C07 | C08 | H14 | 171.4° | 180.0° |
| H13 | C08 | C09 | H15 | 73.3° | 180.0° |
| H13 | C08 | C09 | H16 | 46.6° | 60.0° |
| H14 | C08 | C09 | H15 | 166.7° | 60.0° |
| H14 | C08 | C09 | H16 | 73.4° | 180.0° |
| H15 | C09 | C10 | H17 | 44.1° | 180.0° |
| H15 | C09 | C10 | H18 | 67.5° | 60.0° |
| H16 | C09 | C10 | H17 | 164.0° | 60.0° |
| H16 | C09 | C10 | H18 | 52.4° | 180.0° |
| H17 | C10 | C01 | H20 | 148.9° | 180.0° |
| H17 | C10 | C01 | H21 | 28.9° | 60.0° |
| H18 | C10 | C01 | H20 | 37.3° | 60.0° |
| H18 | C10 | C01 | H21 | 82.7° | 180.0° |
| H20 | C01 | N02 | H27 | 171.6° | 120.0° |
| H21 | C01 | N02 | H27 | 68.4° | 119.9° |
