KG5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.40Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| O2 | C3 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | N1 | sing | 1.47Å | 1.50Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C7 | N1 | sing | 1.47Å | 1.48Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| N1 | C6 | sing | 1.47Å | 1.47Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| O3 | C4 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| O5 | C11 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | O4 | sing | 1.43Å | 1.43Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| O4 | H18 | sing | 0.97Å | 0.95Å | |
| C6 | H19 | sing | 1.09Å | 1.10Å | |
| C6 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| O5 | C12 | sing | 1.43Å | 56.03Å | |
| C13 | C12 | sing | 1.51Å | 0.00Å | |
| C13 | C14 | sing | 1.38Å | 0.00Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 0.00Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 0.00Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 0.00Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 0.00Å | Aromatic |
| C18 | C13 | doub | 1.38Å | 0.00Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 0.00Å | Aromatic |
| C21 | C19 | doub | 1.39Å | 0.00Å | Aromatic |
| C19 | C23 | sing | 1.40Å | 0.00Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 0.00Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 0.00Å | Aromatic |
| C25 | C20 | doub | 1.39Å | 0.00Å | Aromatic |
| C19 | C16 | sing | 1.48Å | 0.00Å | |
| O7 | C24 | sing | 1.36Å | 0.00Å | |
| O6 | C25 | sing | 1.36Å | 0.00Å | |
| C26 | C27 | sing | 1.52Å | 0.00Å | |
| C27 | C28 | sing | 1.52Å | 0.00Å | |
| C26 | O6 | sing | 1.43Å | 0.00Å | |
| O7 | C28 | sing | 1.43Å | 0.00Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| O1 | H11 | sing | 0.97Å | 0.95Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| O2 | H15 | sing | 0.97Å | 0.95Å | |
| C4 | H16 | sing | 1.09Å | 1.10Å | |
| O3 | H17 | sing | 0.97Å | 0.95Å | |
| C12 | H21 | sing | 1.09Å | 0.00Å | |
| C12 | H24 | sing | 1.09Å | 0.00Å | |
| C14 | H25 | sing | 1.08Å | 0.00Å | |
| C15 | H26 | sing | 1.08Å | 0.00Å | |
| C17 | H27 | sing | 1.08Å | 0.00Å | |
| C18 | H28 | sing | 1.08Å | 0.00Å | |
| C20 | H29 | sing | 1.08Å | 0.00Å | |
| C21 | H30 | sing | 1.08Å | 0.00Å | |
| C23 | H31 | sing | 1.08Å | 0.00Å | |
| C26 | H32 | sing | 1.09Å | 0.00Å | |
| C26 | H33 | sing | 1.09Å | 0.00Å | |
| C27 | H34 | sing | 1.09Å | 0.00Å | |
| C27 | H35 | sing | 1.09Å | 0.00Å | |
| C28 | H36 | sing | 1.09Å | 0.00Å | |
| C28 | H37 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 108.4° | 109.5° |
| C1 | O1 | H11 | 109.5° | 114.0° |
| O1 | C1 | H12 | 109.7° | 109.4° |
| O1 | C1 | H13 | 109.7° | 109.4° |
| C1 | C2 | C3 | 110.3° | 109.4° |
| C1 | C2 | N1 | 109.8° | 109.5° |
| C2 | C1 | H12 | 109.7° | 109.5° |
| C2 | C1 | H13 | 109.7° | 109.5° |
| C1 | C2 | H14 | 107.3° | 109.5° |
| O2 | C3 | C2 | 108.2° | 109.6° |
| O2 | C3 | C4 | 109.8° | 109.5° |
| O2 | C3 | H1 | 109.9° | 109.5° |
| C3 | O2 | H15 | 109.5° | 114.1° |
| C3 | C2 | N1 | 114.4° | 109.5° |
| C2 | C3 | C4 | 112.1° | 109.3° |
| C2 | C3 | H1 | 108.4° | 109.5° |
| C3 | C2 | H14 | 107.1° | 109.4° |
| C2 | N1 | C7 | 113.8° | 111.0° |
| C2 | N1 | C6 | 111.8° | 111.2° |
| N1 | C2 | H14 | 107.6° | 109.4° |
| C3 | C4 | O3 | 109.9° | 109.6° |
| C3 | C4 | C5 | 107.9° | 109.2° |
| C4 | C3 | H1 | 108.5° | 109.5° |
| C3 | C4 | H16 | 108.1° | 109.5° |
| N1 | C7 | C8 | 115.0° | 109.4° |
| C7 | N1 | C6 | 112.3° | 111.0° |
| N1 | C7 | H3 | 108.1° | 109.5° |
| N1 | C7 | H4 | 108.1° | 109.4° |
| C7 | C8 | C9 | 115.3° | 109.5° |
| C8 | C7 | H3 | 108.1° | 109.5° |
| C7 | C8 | H7 | 108.0° | 109.5° |
| C8 | C7 | H4 | 108.1° | 109.5° |
| C7 | C8 | H8 | 108.0° | 109.5° |
| N1 | C6 | C5 | 109.5° | 109.5° |
| N1 | C6 | H19 | 109.5° | 109.5° |
| N1 | C6 | H20 | 109.5° | 109.4° |
| C9 | C10 | C11 | 114.1° | 109.5° |
| C10 | C9 | C8 | 116.2° | 109.5° |
| C9 | C10 | H9 | 108.3° | 109.4° |
| C10 | C9 | H22 | 107.8° | 109.5° |
| C10 | C9 | H23 | 107.8° | 109.5° |
| C9 | C10 | H10 | 108.3° | 109.5° |
| C10 | C11 | O5 | 108.2° | 109.5° |
| C10 | C11 | H5 | 109.8° | 109.5° |
| C11 | C10 | H9 | 108.3° | 109.5° |
| C10 | C11 | H6 | 109.8° | 109.5° |
| C11 | C10 | H10 | 108.3° | 109.5° |
| C9 | C8 | H7 | 108.0° | 109.5° |
| C8 | C9 | H22 | 107.7° | 109.5° |
| C8 | C9 | H23 | 107.7° | 109.4° |
| C9 | C8 | H8 | 108.0° | 109.4° |
| O3 | C4 | C5 | 113.5° | 109.5° |
| O3 | C4 | H16 | 109.3° | 109.6° |
| C4 | O3 | H17 | 109.5° | 114.0° |
| C4 | C5 | C6 | 109.7° | 109.3° |
| C4 | C5 | O4 | 112.7° | 109.5° |
| C4 | C5 | H2 | 107.3° | 109.5° |
| C5 | C4 | H16 | 108.0° | 109.5° |
| O5 | C11 | H5 | 109.8° | 109.4° |
| C11 | O5 | C12 | 57.5° | 114.0° |
| O5 | C11 | H6 | 109.8° | 109.4° |
| C6 | C5 | O4 | 111.0° | 109.5° |
| C6 | C5 | H2 | 107.4° | 109.5° |
| C5 | C6 | H19 | 109.5° | 109.4° |
| C5 | C6 | H20 | 109.5° | 109.4° |
| O4 | C5 | H2 | 108.6° | 109.6° |
| C5 | O4 | H18 | 109.5° | 114.0° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.4° | 109.5° |
| H9 | C10 | H10 | 109.5° | 109.4° |
| H19 | C6 | H20 | 109.5° | 109.5° |
| H22 | C9 | H23 | 109.5° | 109.4° |
| O5 | C12 | C13 | 90.0° | 109.5° |
| O5 | C12 | H21 | 90.0° | 109.5° |
| O5 | C12 | H24 | 90.0° | 109.5° |
| C12 | C13 | C14 | 90.0° | 119.9° |
| C12 | C13 | C18 | 90.0° | 119.9° |
| C13 | C12 | H21 | 90.0° | 109.4° |
| C13 | C12 | H24 | 90.0° | 109.4° |
| C13 | C14 | C15 | 90.0° | 120.1° |
| C14 | C13 | C18 | 90.0° | 120.2° |
| C13 | C14 | H25 | 90.0° | 119.9° |
| C14 | C15 | C16 | 90.0° | 119.9° |
| C15 | C14 | H25 | 90.0° | 119.9° |
| C14 | C15 | H26 | 90.0° | 120.1° |
| C15 | C16 | C17 | 90.0° | 119.7° |
| C15 | C16 | C19 | 90.0° | 120.1° |
| C16 | C15 | H26 | 90.0° | 120.0° |
| C16 | C17 | C18 | 90.0° | 119.9° |
| C17 | C16 | C19 | 90.0° | 120.2° |
| C16 | C17 | H27 | 90.0° | 120.0° |
| C17 | C18 | C13 | 90.0° | 120.1° |
| C18 | C17 | H27 | 90.0° | 120.1° |
| C17 | C18 | H28 | 90.0° | 120.0° |
| C13 | C18 | H28 | 90.0° | 119.9° |
| C20 | C21 | C19 | 90.0° | 120.1° |
| C21 | C20 | C25 | 90.0° | 119.9° |
| C21 | C20 | H29 | 90.0° | 120.1° |
| C20 | C21 | H30 | 90.0° | 119.9° |
| C21 | C19 | C23 | 90.0° | 120.0° |
| C21 | C19 | C16 | 90.0° | 120.1° |
| C19 | C21 | H30 | 90.0° | 119.9° |
| C19 | C23 | C24 | 90.0° | 119.6° |
| C23 | C19 | C16 | 90.0° | 120.0° |
| C19 | C23 | H31 | 90.0° | 120.2° |
| C23 | C24 | C25 | 90.0° | 120.2° |
| C23 | C24 | O7 | 90.0° | 120.2° |
| C24 | C23 | H31 | 90.0° | 120.2° |
| C24 | C25 | C20 | 90.0° | 120.2° |
| C25 | C24 | O7 | 90.0° | 119.6° |
| C24 | C25 | O6 | 90.0° | 119.6° |
| C20 | C25 | O6 | 90.0° | 120.2° |
| C25 | C20 | H29 | 90.0° | 120.0° |
| C24 | O7 | C28 | 90.0° | 115.9° |
| C25 | O6 | C26 | 90.0° | 116.0° |
| C26 | C27 | C28 | 90.0° | 112.4° |
| C27 | C26 | O6 | 90.0° | 110.8° |
| C27 | C26 | H32 | 90.0° | 109.2° |
| C27 | C26 | H33 | 90.0° | 109.2° |
| C26 | C27 | H34 | 90.0° | 108.9° |
| C26 | C27 | H35 | 90.0° | 108.9° |
| C27 | C28 | O7 | 90.0° | 110.7° |
| C28 | C27 | H34 | 90.0° | 108.9° |
| C28 | C27 | H35 | 90.0° | 108.9° |
| C27 | C28 | H36 | 90.0° | 109.2° |
| C27 | C28 | H37 | 90.0° | 109.2° |
| O6 | C26 | H32 | 90.0° | 109.2° |
| O6 | C26 | H33 | 90.0° | 109.2° |
| O7 | C28 | H36 | 90.0° | 109.2° |
| O7 | C28 | H37 | 90.0° | 109.2° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H21 | C12 | H24 | 90.0° | 109.5° |
| H32 | C26 | H33 | 90.0° | 109.2° |
| H34 | C27 | H35 | 90.0° | 108.8° |
| H36 | C28 | H37 | 90.0° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | H12 | 119.8° | 120.0° |
| O1 | C1 | C2 | H13 | 119.8° | 120.0° |
| O1 | C1 | C2 | C3 | 88.5° | 56.6° |
| O1 | C1 | C2 | N1 | 38.6° | 63.5° |
| O1 | C1 | H12 | H13 | 120.5° | 120.0° |
| O1 | C1 | C2 | H14 | 155.2° | 176.5° |
| C1 | C2 | C3 | O2 | 66.8° | 60.8° |
| C1 | C2 | C3 | N1 | 124.4° | 120.0° |
| C1 | C2 | C3 | H14 | 116.5° | 120.0° |
| C1 | C2 | N1 | H14 | 116.5° | 120.0° |
| C1 | C2 | C3 | C4 | 172.0° | 179.2° |
| C1 | C2 | N1 | C7 | 57.6° | 54.1° |
| C1 | C2 | N1 | C6 | 173.8° | 178.2° |
| C1 | C2 | C3 | H1 | 52.2° | 59.3° |
| C2 | C1 | O1 | H11 | 180.0° | 179.9° |
| C2 | C1 | H12 | H13 | 120.5° | 120.0° |
| O2 | C3 | C2 | C4 | 121.2° | 120.0° |
| O2 | C3 | C2 | H1 | 119.1° | 120.1° |
| O2 | C3 | C2 | N1 | 168.7° | 179.1° |
| O2 | C3 | C4 | H1 | 120.1° | 120.1° |
| O2 | C3 | C4 | O3 | 62.7° | 62.4° |
| O2 | C3 | C4 | C5 | 173.1° | 177.7° |
| O2 | C3 | C2 | H14 | 49.6° | 59.1° |
| O2 | C3 | C4 | H16 | 56.5° | 57.8° |
| C3 | C2 | N1 | H14 | 118.9° | 120.0° |
| C2 | C3 | C4 | H1 | 119.7° | 119.9° |
| C3 | C2 | N1 | C7 | 177.7° | 174.1° |
| C3 | C2 | N1 | C6 | 49.2° | 61.7° |
| C2 | C3 | C4 | O3 | 177.1° | 177.5° |
| C2 | C3 | C4 | C5 | 52.9° | 57.6° |
| C3 | C2 | C1 | H12 | 31.4° | 63.4° |
| C3 | C2 | C1 | H13 | 151.7° | 176.6° |
| C2 | C3 | O2 | H15 | 180.0° | 179.8° |
| C2 | C3 | C4 | H16 | 63.7° | 62.3° |
| N1 | C2 | C3 | C4 | 47.6° | 59.2° |
| C2 | N1 | C7 | C6 | 128.3° | 124.2° |
| C2 | N1 | C7 | C8 | 176.0° | 172.9° |
| C2 | N1 | C6 | C5 | 57.0° | 61.7° |
| N1 | C2 | C3 | H1 | 72.2° | 60.7° |
| C2 | N1 | C7 | H3 | 63.2° | 52.9° |
| C2 | N1 | C6 | H19 | 63.0° | 178.3° |
| C2 | N1 | C6 | H20 | 177.1° | 58.2° |
| C2 | N1 | C7 | H4 | 55.2° | 67.1° |
| N1 | C2 | C1 | H12 | 158.4° | 176.5° |
| N1 | C2 | C1 | H13 | 81.3° | 56.5° |
| C3 | C4 | O3 | C5 | 120.9° | 119.7° |
| C3 | C4 | O3 | H16 | 118.5° | 120.2° |
| C3 | C4 | C5 | H16 | 116.7° | 119.9° |
| C3 | C4 | C5 | C6 | 62.1° | 57.6° |
| C3 | C4 | C5 | O4 | 173.7° | 177.5° |
| C3 | C4 | C5 | H2 | 54.3° | 62.3° |
| C4 | C3 | C2 | H14 | 71.5° | 60.8° |
| C4 | C3 | O2 | H15 | 57.4° | 60.0° |
| C3 | C4 | O3 | H17 | 180.0° | 180.0° |
| N1 | C7 | C8 | H3 | 120.8° | 120.0° |
| N1 | C7 | C8 | H4 | 120.8° | 120.0° |
| N1 | C7 | C8 | C9 | 159.8° | 179.9° |
| C7 | N1 | C6 | C5 | 173.7° | 174.2° |
| N1 | C7 | H3 | H4 | 117.5° | 120.0° |
| N1 | C7 | C8 | H7 | 38.9° | 60.0° |
| C7 | N1 | C6 | H19 | 66.3° | 54.2° |
| C7 | N1 | C6 | H20 | 53.6° | 65.9° |
| N1 | C7 | C8 | H8 | 79.4° | 60.0° |
| C7 | N1 | C2 | H14 | 58.9° | 65.9° |
| C8 | C7 | N1 | C6 | 55.7° | 62.8° |
| C7 | C8 | C9 | C10 | 39.8° | 180.0° |
| C7 | C8 | C9 | H7 | 120.9° | 120.1° |
| C7 | C8 | C9 | H8 | 120.9° | 120.0° |
| C8 | C7 | H3 | H4 | 117.5° | 120.0° |
| C7 | C8 | H7 | H8 | 117.3° | 120.1° |
| C7 | C8 | C9 | H22 | 160.8° | 59.9° |
| C7 | C8 | C9 | H23 | 81.1° | 60.0° |
| N1 | C6 | C5 | C4 | 64.9° | 59.1° |
| N1 | C6 | C5 | H19 | 120.0° | 120.0° |
| N1 | C6 | C5 | H20 | 120.0° | 120.0° |
| N1 | C6 | C5 | O4 | 169.9° | 179.1° |
| N1 | C6 | C5 | H2 | 51.3° | 60.8° |
| C6 | N1 | C7 | H3 | 65.1° | 177.2° |
| N1 | C6 | H19 | H20 | 120.0° | 120.0° |
| C6 | N1 | C7 | H4 | 176.5° | 57.1° |
| C6 | N1 | C2 | H14 | 69.7° | 58.3° |
| C9 | C10 | C11 | H9 | 120.7° | 120.0° |
| C9 | C10 | C11 | H10 | 120.7° | 120.0° |
| C10 | C9 | C8 | H22 | 121.0° | 120.1° |
| C10 | C9 | C8 | H23 | 121.0° | 120.0° |
| C9 | C10 | C11 | O5 | 167.1° | 180.0° |
| C9 | C10 | C11 | H5 | 47.3° | 60.0° |
| C10 | C9 | C8 | H7 | 160.7° | 59.9° |
| C9 | C10 | H9 | H10 | 117.9° | 120.0° |
| C10 | C9 | H22 | H23 | 117.0° | 120.0° |
| C9 | C10 | C11 | H6 | 73.1° | 60.0° |
| C10 | C9 | C8 | H8 | 81.0° | 60.0° |
| C11 | C10 | C9 | C8 | 54.9° | 180.0° |
| C10 | C11 | O5 | H5 | 119.8° | 120.0° |
| C10 | C11 | O5 | H6 | 119.8° | 120.0° |
| C10 | C11 | H5 | H6 | 120.6° | 120.0° |
| C11 | C10 | H9 | H10 | 117.9° | 120.0° |
| C11 | C10 | C9 | H22 | 66.1° | 60.0° |
| C11 | C10 | C9 | H23 | 175.8° | 60.0° |
| C10 | C11 | O5 | C12 | 122.2° | 180.0° |
| C9 | C8 | C7 | H3 | 79.4° | 60.0° |
| C9 | C8 | H7 | H8 | 117.4° | 119.9° |
| C8 | C9 | C10 | H9 | 65.8° | 60.0° |
| C8 | C9 | H22 | H23 | 116.9° | 119.9° |
| C9 | C8 | C7 | H4 | 38.9° | 60.0° |
| C8 | C9 | C10 | H10 | 175.5° | 60.0° |
| O3 | C4 | C5 | H16 | 121.3° | 120.2° |
| O3 | C4 | C5 | C6 | 175.9° | 177.5° |
| O3 | C4 | C5 | O4 | 51.7° | 62.5° |
| O3 | C4 | C3 | H1 | 57.4° | 57.6° |
| O3 | C4 | C5 | H2 | 67.7° | 57.6° |
| C4 | C5 | C6 | O4 | 125.2° | 119.9° |
| C4 | C5 | C6 | H2 | 116.3° | 119.9° |
| C4 | C5 | O4 | H2 | 118.7° | 120.1° |
| C5 | C4 | C3 | H1 | 66.8° | 62.3° |
| C4 | C5 | O4 | H18 | 180.0° | 179.8° |
| C4 | C5 | C6 | H19 | 55.1° | 179.2° |
| C4 | C5 | C6 | H20 | 175.0° | 60.8° |
| C5 | C4 | O3 | H17 | 59.1° | 60.3° |
| O5 | C11 | H5 | H6 | 120.6° | 119.9° |
| O5 | C11 | C10 | H9 | 72.3° | 60.0° |
| C11 | O5 | C12 | C13 | 90.0° | 180.0° |
| O5 | C11 | C10 | H10 | 46.4° | 60.0° |
| C11 | O5 | C12 | H21 | 90.0° | 60.0° |
| C11 | O5 | C12 | H24 | 90.0° | 60.0° |
| C6 | C5 | O4 | H2 | 117.8° | 120.1° |
| C6 | C5 | O4 | H18 | 56.5° | 60.1° |
| C5 | C6 | H19 | H20 | 120.0° | 119.9° |
| C6 | C5 | C4 | H16 | 54.6° | 62.3° |
| O4 | C5 | C6 | H19 | 70.2° | 60.9° |
| O4 | C5 | C6 | H20 | 49.8° | 59.1° |
| O4 | C5 | C4 | H16 | 69.6° | 57.7° |
| H1 | C3 | C2 | H14 | 168.7° | 179.3° |
| H1 | C3 | O2 | H15 | 61.9° | 60.1° |
| H1 | C3 | C4 | H16 | 176.6° | 177.8° |
| H2 | C5 | O4 | H18 | 61.3° | 60.1° |
| H2 | C5 | C6 | H19 | 171.3° | 59.3° |
| H2 | C5 | C6 | H20 | 68.7° | 179.3° |
| H2 | C5 | C4 | H16 | 170.9° | 177.8° |
| H3 | C7 | C8 | H7 | 159.7° | 60.0° |
| H3 | C7 | C8 | H8 | 41.4° | 180.0° |
| H5 | C11 | C10 | H9 | 168.0° | 60.0° |
| H5 | C11 | O5 | C12 | 118.0° | 60.0° |
| H5 | C11 | C10 | H10 | 73.4° | 180.0° |
| H7 | C8 | C9 | H22 | 78.3° | NaN° |
| H7 | C8 | C9 | H23 | 39.7° | 60.1° |
| H7 | C8 | C7 | H4 | 81.9° | 180.0° |
| H9 | C10 | C9 | H22 | 173.2° | 60.1° |
| H9 | C10 | C9 | H23 | 55.1° | 179.9° |
| H9 | C10 | C11 | H6 | 47.6° | 180.0° |
| H22 | C9 | C8 | H8 | 40.0° | 60.0° |
| H22 | C9 | C10 | H10 | 54.6° | 180.0° |
| H23 | C9 | C8 | H8 | 158.0° | 180.0° |
| H23 | C9 | C10 | H10 | 63.5° | 60.0° |
| O5 | C12 | C13 | H21 | 90.0° | 120.0° |
| O5 | C12 | C13 | H24 | 90.0° | 120.0° |
| O5 | C12 | C13 | C14 | 90.0° | 90.0° |
| O5 | C12 | C13 | C18 | 90.0° | 90.2° |
| C12 | O5 | C11 | H6 | 2.5° | 60.0° |
| O5 | C12 | H21 | H24 | 90.0° | 120.1° |
| C12 | C13 | C14 | C18 | 90.0° | 179.8° |
| C12 | C13 | C14 | C15 | 90.0° | 180.0° |
| C12 | C13 | C18 | C17 | 90.0° | 180.0° |
| C13 | C12 | H21 | H24 | 90.0° | 119.9° |
| C12 | C13 | C14 | H25 | 90.0° | 0.0° |
| C12 | C13 | C18 | H28 | 90.0° | 0.1° |
| C13 | C14 | C15 | H25 | 90.0° | 180.0° |
| C13 | C14 | C15 | C16 | 90.0° | 0.0° |
| C14 | C13 | C18 | C17 | 90.0° | 0.2° |
| C14 | C13 | C12 | H21 | 90.0° | 30.1° |
| C14 | C13 | C12 | H24 | 90.0° | 150.0° |
| C13 | C14 | C15 | H26 | 90.0° | 180.0° |
| C14 | C13 | C18 | H28 | 90.0° | 179.7° |
| C14 | C15 | C16 | H26 | 90.0° | 180.0° |
| C14 | C15 | C16 | C17 | 90.0° | 0.2° |
| C15 | C14 | C13 | C18 | 90.0° | 0.2° |
| C14 | C15 | C16 | C19 | 90.0° | 180.0° |
| C15 | C16 | C17 | C19 | 90.0° | 179.8° |
| C15 | C16 | C17 | C18 | 90.0° | 0.3° |
| C15 | C16 | C19 | C21 | 90.0° | 0.0° |
| C15 | C16 | C19 | C23 | 90.0° | 180.0° |
| C16 | C15 | C14 | H25 | 90.0° | 180.0° |
| C15 | C16 | C17 | H27 | 90.0° | 179.7° |
| C16 | C17 | C18 | H27 | 90.0° | 180.0° |
| C16 | C17 | C18 | C13 | 90.0° | 0.0° |
| C17 | C16 | C19 | C21 | 90.0° | 179.7° |
| C17 | C16 | C19 | C23 | 90.0° | 0.2° |
| C17 | C16 | C15 | H26 | 90.0° | 179.8° |
| C16 | C17 | C18 | H28 | 90.0° | 180.0° |
| C17 | C18 | C13 | H28 | 90.0° | 179.9° |
| C18 | C17 | C16 | C19 | 90.0° | 180.0° |
| C18 | C13 | C12 | H21 | 90.0° | 149.7° |
| C18 | C13 | C12 | H24 | 90.0° | 29.8° |
| C18 | C13 | C14 | H25 | 90.0° | 179.8° |
| C13 | C18 | C17 | H27 | 90.0° | 179.9° |
| C20 | C21 | C19 | H30 | 90.0° | 179.9° |
| C20 | C21 | C19 | C23 | 90.0° | 0.0° |
| C21 | C20 | C25 | C24 | 90.0° | 0.0° |
| C21 | C20 | C25 | H29 | 90.0° | 179.8° |
| C20 | C21 | C19 | C16 | 90.0° | 179.9° |
| C21 | C20 | C25 | O6 | 90.0° | 180.0° |
| C21 | C19 | C23 | C16 | 90.0° | 180.0° |
| C21 | C19 | C23 | C24 | 90.0° | 0.5° |
| C19 | C21 | C20 | C25 | 90.0° | 0.3° |
| C19 | C21 | C20 | H29 | 90.0° | 180.0° |
| C21 | C19 | C23 | H31 | 90.0° | 179.7° |
| C19 | C23 | C24 | H31 | 90.0° | 179.2° |
| C19 | C23 | C24 | C25 | 90.0° | 0.8° |
| C19 | C23 | C24 | O7 | 90.0° | 179.8° |
| C23 | C19 | C21 | H30 | 90.0° | 180.0° |
| C23 | C24 | C25 | O7 | 90.0° | 179.4° |
| C23 | C24 | C25 | C20 | 90.0° | 0.5° |
| C24 | C23 | C19 | C16 | 90.0° | 179.5° |
| C23 | C24 | C25 | O6 | 90.0° | 179.5° |
| C23 | C24 | O7 | C28 | 90.0° | 112.3° |
| C24 | C25 | C20 | O6 | 90.0° | 180.0° |
| C24 | C25 | O6 | C26 | 90.0° | 68.3° |
| C25 | C24 | O7 | C28 | 90.0° | 68.3° |
| C24 | C25 | C20 | H29 | 90.0° | 179.8° |
| C25 | C24 | C23 | H31 | 90.0° | 180.0° |
| C20 | C25 | C24 | O7 | 90.0° | 179.9° |
| C20 | C25 | O6 | C26 | 90.0° | 111.8° |
| C25 | C20 | C21 | H30 | 90.0° | 179.8° |
| C19 | C16 | C15 | H26 | 90.0° | 0.0° |
| C19 | C16 | C17 | H27 | 90.0° | 0.1° |
| C16 | C19 | C21 | H30 | 90.0° | 0.0° |
| C16 | C19 | C23 | H31 | 90.0° | 0.3° |
| O7 | C24 | C25 | O6 | 90.0° | 0.1° |
| C24 | O7 | C28 | C27 | 90.0° | 84.4° |
| O7 | C24 | C23 | H31 | 90.0° | 0.6° |
| C24 | O7 | C28 | H36 | 90.0° | 155.3° |
| C24 | O7 | C28 | H37 | 90.0° | 35.9° |
| C25 | O6 | C26 | C27 | 90.0° | 84.5° |
| O6 | C25 | C20 | H29 | 90.0° | 0.2° |
| C25 | O6 | C26 | H32 | 90.0° | 35.9° |
| C25 | O6 | C26 | H33 | 90.0° | 155.2° |
| C26 | C27 | C28 | H34 | 90.0° | 120.7° |
| C26 | C27 | C28 | H35 | 90.0° | 120.8° |
| C27 | C26 | O6 | H32 | 90.0° | 120.3° |
| C27 | C26 | O6 | H33 | 90.0° | 120.3° |
| C26 | C27 | C28 | O7 | 90.0° | 64.9° |
| C27 | C26 | H32 | H33 | 90.0° | 119.4° |
| C26 | C27 | H34 | H35 | 90.0° | 118.6° |
| C26 | C27 | C28 | H36 | 90.0° | 174.8° |
| C26 | C27 | C28 | H37 | 90.0° | 55.4° |
| C28 | C27 | C26 | O6 | 90.0° | 64.9° |
| C27 | C28 | O7 | H36 | 90.0° | 120.3° |
| C27 | C28 | O7 | H37 | 90.0° | 120.3° |
| C28 | C27 | C26 | H32 | 90.0° | 55.4° |
| C28 | C27 | C26 | H33 | 90.0° | 174.8° |
| C28 | C27 | H34 | H35 | 90.0° | 118.6° |
| C27 | C28 | H36 | H37 | 90.0° | 119.4° |
| O6 | C26 | H32 | H33 | 90.0° | 119.3° |
| O6 | C26 | C27 | H34 | 90.0° | 174.5° |
| O6 | C26 | C27 | H35 | 90.0° | 55.9° |
| O7 | C28 | C27 | H34 | 90.0° | 174.5° |
| O7 | C28 | C27 | H35 | 90.0° | 55.9° |
| O7 | C28 | H36 | H37 | 90.0° | 119.4° |
| H4 | C7 | C8 | H8 | 159.8° | 59.9° |
| H6 | C11 | C10 | H10 | 166.2° | 60.0° |
| H11 | O1 | C1 | H12 | 60.2° | 60.1° |
| H11 | O1 | C1 | H13 | 60.2° | 59.9° |
| H12 | C1 | C2 | H14 | 85.0° | 56.6° |
| H13 | C1 | C2 | H14 | 35.4° | 63.5° |
| H16 | C4 | O3 | H17 | 61.5° | 59.8° |
| H25 | C14 | C15 | H26 | 90.0° | 0.0° |
| H27 | C17 | C18 | H28 | 90.0° | 0.0° |
| H29 | C20 | C21 | H30 | 90.0° | 0.0° |
| H32 | C26 | C27 | H34 | 90.0° | 65.3° |
| H32 | C26 | C27 | H35 | 90.0° | 176.2° |
| H33 | C26 | C27 | H34 | 90.0° | 54.1° |
| H33 | C26 | C27 | H35 | 90.0° | 64.4° |
| H34 | C27 | C28 | H36 | 90.0° | 54.2° |
| H34 | C27 | C28 | H37 | 90.0° | 65.3° |
| H35 | C27 | C28 | H36 | 90.0° | 64.4° |
| H35 | C27 | C28 | H37 | 90.0° | 176.2° |
