KAE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C22 | N4 | sing | 1.47Å | 1.46Å | |
| C23 | O3 | sing | 1.43Å | 1.42Å | |
| O3 | C24 | sing | 1.43Å | 1.42Å | |
| C21 | N4 | sing | 1.47Å | 1.47Å | |
| C21 | C11 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | doub | 1.37Å | 1.37Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| C14 | N2 | sing | 1.47Å | 1.46Å | |
| N4 | C25 | sing | 1.47Å | 1.46Å | |
| C5 | C4 | sing | 1.40Å | 1.41Å | Aromatic |
| C25 | C24 | sing | 1.53Å | 1.51Å | |
| C13 | N3 | sing | 1.47Å | 1.47Å | |
| C1 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | N3 | sing | 1.40Å | 1.37Å | |
| C15 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| CL1 | C18 | sing | 1.74Å | 1.73Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| N3 | C12 | sing | 1.47Å | 1.47Å | |
| N2 | C11 | sing | 1.47Å | 1.48Å | |
| N2 | C10 | sing | 1.35Å | 1.35Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C10 | O2 | doub | 1.22Å | 1.23Å | |
| C10 | C9 | sing | 1.48Å | 1.49Å | |
| C4 | C9 | sing | 1.47Å | 1.43Å | |
| C4 | C3 | doub | 1.41Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | CL2 | sing | 1.74Å | 1.73Å | |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C8 | doub | 1.37Å | 1.38Å | |
| C3 | N1 | sing | 1.38Å | 1.38Å | |
| C8 | C7 | sing | 1.46Å | 1.45Å | |
| N1 | C7 | sing | 1.34Å | 1.35Å | |
| C7 | O1 | doub | 1.22Å | 1.25Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.08Å | 1.08Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C2 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | N4 | 110.0° | 109.2° |
| C22 | C23 | O3 | 111.5° | 109.3° |
| C23 | C22 | H11 | 109.3° | 109.5° |
| C23 | C22 | H12 | 109.3° | 109.5° |
| C22 | C23 | H23 | 109.0° | 109.5° |
| C22 | C23 | H24 | 109.0° | 109.5° |
| C22 | N4 | C21 | 110.8° | 111.0° |
| C22 | N4 | C25 | 109.1° | 110.8° |
| N4 | C22 | H11 | 109.3° | 109.5° |
| N4 | C22 | H12 | 109.3° | 109.5° |
| C23 | O3 | C24 | 109.9° | 113.7° |
| O3 | C23 | H23 | 108.9° | 109.5° |
| O3 | C23 | H24 | 109.0° | 109.6° |
| O3 | C24 | C25 | 111.5° | 109.3° |
| O3 | C24 | H13 | 109.0° | 109.6° |
| O3 | C24 | H14 | 109.0° | 109.5° |
| N4 | C21 | C11 | 110.1° | 109.5° |
| C21 | N4 | C25 | 111.1° | 111.0° |
| N4 | C21 | H9 | 109.3° | 109.5° |
| N4 | C21 | H10 | 109.3° | 109.5° |
| C21 | C11 | N2 | 110.8° | 109.6° |
| C21 | C11 | C12 | 113.0° | 109.6° |
| C11 | C21 | H9 | 109.3° | 109.4° |
| C11 | C21 | H10 | 109.3° | 109.5° |
| C21 | C11 | H16 | 107.5° | 109.6° |
| C5 | C6 | C1 | 120.2° | 120.5° |
| C6 | C5 | C4 | 120.9° | 119.8° |
| C6 | C5 | H2 | 119.6° | 120.1° |
| C5 | C6 | H3 | 119.9° | 119.7° |
| C6 | C1 | C2 | 120.7° | 120.6° |
| C1 | C6 | H3 | 119.9° | 119.7° |
| C6 | C1 | H15 | 119.7° | 119.7° |
| C16 | C17 | C18 | 119.8° | 120.1° |
| C17 | C16 | C15 | 120.3° | 119.9° |
| C16 | C17 | H7 | 120.1° | 119.9° |
| C17 | C16 | H21 | 119.8° | 120.0° |
| C17 | C18 | CL1 | 119.3° | 120.0° |
| C17 | C18 | C19 | 120.0° | 120.1° |
| C18 | C17 | H7 | 120.1° | 120.0° |
| C16 | C15 | N3 | 121.9° | 120.0° |
| C16 | C15 | C20 | 119.0° | 119.9° |
| C15 | C16 | H21 | 119.8° | 120.0° |
| C13 | C14 | N2 | 109.1° | 108.5° |
| C14 | C13 | N3 | 112.9° | 109.3° |
| C14 | C13 | H5 | 108.6° | 109.5° |
| C14 | C13 | H6 | 108.6° | 109.5° |
| C13 | C14 | H19 | 109.5° | 109.6° |
| C13 | C14 | H20 | 109.6° | 109.7° |
| C14 | N2 | C11 | 111.9° | 118.2° |
| C14 | N2 | C10 | 126.5° | 120.9° |
| N2 | C14 | H19 | 109.6° | 109.6° |
| N2 | C14 | H20 | 109.6° | 109.6° |
| N4 | C25 | C24 | 110.1° | 109.2° |
| N4 | C25 | H25 | 109.3° | 109.5° |
| N4 | C25 | H26 | 109.3° | 109.5° |
| C5 | C4 | C9 | 122.8° | 120.7° |
| C5 | C4 | C3 | 118.1° | 119.9° |
| C4 | C5 | H2 | 119.5° | 120.1° |
| C25 | C24 | H13 | 109.0° | 109.5° |
| C25 | C24 | H14 | 108.9° | 109.5° |
| C24 | C25 | H25 | 109.3° | 109.5° |
| C24 | C25 | H26 | 109.3° | 109.5° |
| C13 | N3 | C15 | 121.5° | 111.0° |
| C13 | N3 | C12 | 115.6° | 111.3° |
| N3 | C13 | H5 | 108.6° | 109.5° |
| N3 | C13 | H6 | 108.6° | 109.4° |
| C1 | C2 | C3 | 119.4° | 119.9° |
| C2 | C1 | H15 | 119.7° | 119.7° |
| C1 | C2 | H22 | 120.3° | 120.1° |
| N3 | C15 | C20 | 118.8° | 120.0° |
| C15 | N3 | C12 | 121.3° | 111.0° |
| C15 | C20 | C19 | 120.4° | 119.9° |
| C15 | C20 | H8 | 119.8° | 120.0° |
| CL1 | C18 | C19 | 120.7° | 120.0° |
| C18 | C19 | C20 | 120.4° | 120.0° |
| C18 | C19 | CL2 | 121.5° | 120.0° |
| N3 | C12 | C11 | 114.3° | 109.3° |
| N3 | C12 | H17 | 108.2° | 109.5° |
| N3 | C12 | H18 | 108.3° | 109.5° |
| C11 | N2 | C10 | 121.2° | 120.9° |
| N2 | C11 | C12 | 109.5° | 108.5° |
| N2 | C11 | H16 | 108.3° | 109.8° |
| N2 | C10 | O2 | 121.8° | 120.0° |
| N2 | C10 | C9 | 118.0° | 120.0° |
| C12 | C11 | H16 | 107.5° | 109.6° |
| C11 | C12 | H17 | 108.2° | 109.5° |
| C11 | C12 | H18 | 108.3° | 109.5° |
| O2 | C10 | C9 | 120.2° | 120.0° |
| C10 | C9 | C4 | 120.0° | 120.7° |
| C10 | C9 | C8 | 120.5° | 120.7° |
| C9 | C4 | C3 | 119.1° | 119.4° |
| C4 | C9 | C8 | 119.5° | 118.5° |
| C4 | C3 | C2 | 120.7° | 119.3° |
| C4 | C3 | N1 | 118.8° | 120.3° |
| C20 | C19 | CL2 | 118.1° | 120.0° |
| C19 | C20 | H8 | 119.8° | 120.1° |
| C2 | C3 | N1 | 120.5° | 120.5° |
| C3 | C2 | H22 | 120.3° | 120.1° |
| C9 | C8 | C7 | 121.5° | 119.4° |
| C9 | C8 | H4 | 119.2° | 120.2° |
| C3 | N1 | C7 | 124.8° | 121.3° |
| C3 | N1 | H1 | 117.6° | 119.3° |
| C8 | C7 | N1 | 116.3° | 121.0° |
| C8 | C7 | O1 | 123.5° | 119.5° |
| C7 | C8 | H4 | 119.2° | 120.3° |
| N1 | C7 | O1 | 120.2° | 119.5° |
| C7 | N1 | H1 | 117.6° | 119.3° |
| H5 | C13 | H6 | 109.4° | 109.6° |
| H9 | C21 | H10 | 109.4° | 109.5° |
| H11 | C22 | H12 | 109.5° | 109.6° |
| H13 | C24 | H14 | 109.5° | 109.5° |
| H17 | C12 | H18 | 109.5° | 109.5° |
| H19 | C14 | H20 | 109.5° | 109.8° |
| H23 | C23 | H24 | 109.5° | 109.6° |
| H25 | C25 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | N4 | H11 | 120.1° | 119.9° |
| C23 | C22 | N4 | H12 | 120.1° | 119.9° |
| C22 | C23 | O3 | H23 | 120.3° | 119.9° |
| C22 | C23 | O3 | H24 | 120.3° | 119.9° |
| C22 | C23 | O3 | C24 | 58.3° | 58.7° |
| C23 | C22 | N4 | C21 | 179.4° | 177.6° |
| C23 | C22 | N4 | C25 | 56.8° | 58.6° |
| C23 | C22 | H11 | H12 | 119.8° | 120.1° |
| C22 | C23 | H23 | H24 | 119.1° | 120.1° |
| N4 | C22 | C23 | O3 | 58.3° | 56.8° |
| C22 | N4 | C21 | C25 | 121.5° | 123.7° |
| C22 | N4 | C21 | C11 | 155.4° | 69.0° |
| C22 | N4 | C25 | C24 | 56.8° | 58.6° |
| C22 | N4 | C21 | H9 | 35.3° | 171.0° |
| C22 | N4 | C21 | H10 | 84.5° | 51.0° |
| N4 | C22 | H11 | H12 | 119.8° | 120.1° |
| N4 | C22 | C23 | H23 | 178.6° | 176.7° |
| N4 | C22 | C23 | H24 | 61.9° | 63.2° |
| C22 | N4 | C25 | H25 | 176.9° | 61.3° |
| C22 | N4 | C25 | H26 | 63.3° | 178.6° |
| C23 | O3 | C24 | C25 | 58.3° | 58.8° |
| O3 | C23 | C22 | H11 | 178.4° | 176.8° |
| O3 | C23 | C22 | H12 | 61.7° | 63.0° |
| C23 | O3 | C24 | H13 | 178.6° | 61.2° |
| C23 | O3 | C24 | H14 | 62.0° | 178.7° |
| O3 | C23 | H23 | H24 | 119.1° | 120.2° |
| O3 | C24 | C25 | N4 | 58.2° | 56.9° |
| O3 | C24 | C25 | H13 | 120.3° | 120.0° |
| O3 | C24 | C25 | H14 | 120.3° | 120.0° |
| O3 | C24 | H13 | H14 | 119.1° | 120.1° |
| C24 | O3 | C23 | H23 | 178.7° | 178.6° |
| C24 | O3 | C23 | H24 | 62.0° | 61.2° |
| O3 | C24 | C25 | H25 | 178.3° | 63.0° |
| O3 | C24 | C25 | H26 | 61.8° | 176.8° |
| N4 | C21 | C11 | H9 | 120.1° | 120.0° |
| N4 | C21 | C11 | H10 | 120.1° | 120.1° |
| C21 | N4 | C25 | C24 | 179.3° | 177.6° |
| N4 | C21 | C11 | N2 | 154.3° | 55.8° |
| N4 | C21 | C11 | C12 | 82.3° | 174.8° |
| N4 | C21 | H9 | H10 | 119.7° | 120.0° |
| C21 | N4 | C22 | H11 | 60.5° | 57.7° |
| C21 | N4 | C22 | H12 | 59.3° | 62.5° |
| N4 | C21 | C11 | H16 | 36.1° | 64.8° |
| C21 | N4 | C25 | H25 | 60.6° | 62.4° |
| C21 | N4 | C25 | H26 | 59.2° | 57.7° |
| C21 | C11 | N2 | C14 | 66.7° | 68.5° |
| C11 | C21 | N4 | C25 | 83.1° | 167.4° |
| C21 | C11 | C12 | N3 | 77.6° | 65.9° |
| C21 | C11 | N2 | C12 | 125.3° | 119.7° |
| C21 | C11 | N2 | H16 | 117.7° | 120.5° |
| C21 | C11 | N2 | C10 | 120.6° | 111.4° |
| C21 | C11 | C12 | H16 | 118.5° | 120.4° |
| C11 | C21 | H9 | H10 | 119.7° | 120.0° |
| C21 | C11 | C12 | H17 | 43.1° | 54.1° |
| C21 | C11 | C12 | H18 | 161.6° | 174.2° |
| C5 | C6 | C1 | H3 | 180.0° | 180.0° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C5 | C6 | C1 | C2 | 0.3° | 0.1° |
| C6 | C5 | C4 | C9 | 179.9° | 180.0° |
| C6 | C5 | C4 | C3 | 0.8° | 0.0° |
| C5 | C6 | C1 | H15 | 179.7° | 180.0° |
| C1 | C6 | C5 | C4 | 0.7° | 0.0° |
| C6 | C1 | C2 | H15 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.0° | 0.1° |
| C1 | C6 | C5 | H2 | 179.3° | 180.0° |
| C6 | C1 | C2 | H22 | 180.0° | 180.0° |
| C16 | C17 | C18 | H7 | 180.0° | 179.9° |
| C17 | C16 | C15 | H21 | 180.0° | 180.0° |
| C17 | C16 | C15 | N3 | 177.5° | 180.0° |
| C17 | C16 | C15 | C20 | 3.4° | 0.3° |
| C16 | C17 | C18 | CL1 | 179.2° | 180.0° |
| C16 | C17 | C18 | C19 | 0.5° | 0.2° |
| C18 | C17 | C16 | C15 | 2.3° | 0.0° |
| C17 | C18 | CL1 | C19 | 179.7° | 179.7° |
| C17 | C18 | C19 | C20 | 0.2° | 0.3° |
| C17 | C18 | C19 | CL2 | 179.7° | 180.0° |
| C18 | C17 | C16 | H21 | 177.8° | 180.0° |
| C16 | C15 | N3 | C13 | 32.6° | 124.0° |
| C16 | C15 | N3 | C20 | 174.2° | 179.7° |
| C16 | C15 | N3 | C12 | 162.3° | 0.3° |
| C16 | C15 | C20 | C19 | 2.7° | 0.2° |
| C15 | C16 | C17 | H7 | 177.8° | 180.0° |
| C16 | C15 | C20 | H8 | 177.3° | 179.7° |
| C13 | C14 | N2 | H19 | 119.9° | 119.7° |
| C13 | C14 | N2 | H20 | 120.0° | 119.7° |
| C14 | C13 | N3 | H5 | 120.5° | 120.0° |
| C14 | C13 | N3 | H6 | 120.5° | 119.9° |
| C14 | C13 | N3 | C15 | 149.2° | 172.7° |
| C14 | C13 | N3 | C12 | 44.8° | 63.1° |
| C13 | C14 | N2 | C11 | 63.1° | 51.2° |
| C13 | C14 | N2 | C10 | 109.2° | 128.8° |
| C14 | C13 | H5 | H6 | 118.4° | 120.1° |
| C13 | C14 | H19 | H20 | 120.2° | 120.5° |
| N2 | C14 | C13 | N3 | 54.6° | 53.9° |
| C14 | N2 | C11 | C10 | 172.8° | 179.9° |
| C14 | N2 | C11 | C12 | 58.6° | 51.2° |
| C14 | N2 | C10 | O2 | 8.4° | 175.2° |
| C14 | N2 | C10 | C9 | 172.8° | 4.8° |
| N2 | C14 | C13 | H5 | 175.2° | 66.1° |
| N2 | C14 | C13 | H6 | 65.9° | 173.8° |
| C14 | N2 | C11 | H16 | 175.6° | 171.0° |
| N2 | C14 | H19 | H20 | 120.2° | 120.5° |
| N4 | C25 | C24 | H25 | 120.1° | 119.9° |
| N4 | C25 | C24 | H26 | 120.1° | 119.9° |
| C25 | N4 | C21 | H9 | 156.8° | 47.4° |
| C25 | N4 | C21 | H10 | 37.0° | 72.6° |
| C25 | N4 | C22 | H11 | 176.9° | 178.6° |
| C25 | N4 | C22 | H12 | 63.3° | 61.3° |
| N4 | C25 | C24 | H13 | 178.6° | 63.1° |
| N4 | C25 | C24 | H14 | 62.1° | 176.8° |
| N4 | C25 | H25 | H26 | 119.7° | 120.1° |
| C5 | C4 | C9 | C10 | 0.8° | 0.0° |
| C5 | C4 | C9 | C3 | 179.3° | 180.0° |
| C5 | C4 | C3 | C2 | 0.5° | 0.1° |
| C5 | C4 | C9 | C8 | 179.9° | 179.2° |
| C5 | C4 | C3 | N1 | 180.0° | 179.5° |
| C4 | C5 | C6 | H3 | 179.3° | 180.0° |
| C25 | C24 | H13 | H14 | 119.1° | 120.0° |
| C24 | C25 | H25 | H26 | 119.7° | 120.2° |
| C13 | N3 | C15 | C12 | 165.1° | 124.3° |
| C13 | N3 | C15 | C20 | 141.6° | 55.7° |
| C13 | N3 | C12 | C11 | 41.0° | 63.1° |
| N3 | C13 | H5 | H6 | 118.4° | 120.0° |
| C13 | N3 | C12 | H17 | 161.7° | 176.9° |
| C13 | N3 | C12 | H18 | 79.8° | 56.8° |
| N3 | C13 | C14 | H19 | 174.6° | 173.5° |
| N3 | C13 | C14 | H20 | 65.3° | 65.8° |
| C1 | C2 | C3 | C4 | 0.1° | 0.1° |
| C1 | C2 | C3 | H22 | 180.0° | 179.9° |
| C1 | C2 | C3 | N1 | 179.6° | 179.5° |
| C2 | C1 | C6 | H3 | 179.7° | 180.0° |
| C15 | N3 | C12 | C11 | 153.1° | 172.8° |
| N3 | C15 | C20 | C19 | 177.1° | 180.0° |
| C15 | N3 | C13 | H5 | 28.7° | 67.3° |
| C15 | N3 | C13 | H6 | 90.2° | 52.8° |
| N3 | C15 | C20 | H8 | 2.9° | 0.0° |
| C15 | N3 | C12 | H17 | 32.4° | 52.8° |
| C15 | N3 | C12 | H18 | 86.2° | 67.3° |
| N3 | C15 | C16 | H21 | 2.5° | 0.0° |
| C15 | C20 | C19 | C18 | 1.0° | 0.0° |
| C20 | C15 | N3 | C12 | 23.5° | 180.0° |
| C15 | C20 | C19 | H8 | 180.0° | 179.9° |
| C15 | C20 | C19 | CL2 | 179.2° | 179.7° |
| C20 | C15 | C16 | H21 | 176.7° | 179.7° |
| CL1 | C18 | C19 | C20 | 179.8° | 180.0° |
| CL1 | C18 | C19 | CL2 | 0.0° | 0.3° |
| CL1 | C18 | C17 | H7 | 0.8° | 0.1° |
| C18 | C19 | C20 | CL2 | 179.9° | 179.7° |
| C19 | C18 | C17 | H7 | 179.6° | 179.7° |
| C18 | C19 | C20 | H8 | 179.0° | 180.0° |
| N3 | C12 | C11 | N2 | 46.4° | 53.8° |
| N3 | C12 | C11 | H17 | 120.7° | 120.0° |
| N3 | C12 | C11 | H18 | 120.7° | 119.9° |
| C12 | N3 | C13 | H5 | 165.3° | 56.9° |
| C12 | N3 | C13 | H6 | 75.7° | 176.9° |
| N3 | C12 | C11 | H16 | 163.9° | 173.7° |
| N3 | C12 | H17 | H18 | 117.8° | 120.0° |
| N2 | C11 | C12 | H16 | 117.5° | 119.9° |
| C11 | N2 | C10 | O2 | 163.3° | 4.9° |
| C11 | N2 | C10 | C9 | 15.6° | 175.1° |
| N2 | C11 | C21 | H9 | 85.6° | 64.2° |
| N2 | C11 | C21 | H10 | 34.2° | 175.8° |
| N2 | C11 | C12 | H17 | 167.2° | 173.8° |
| N2 | C11 | C12 | H18 | 74.3° | 66.1° |
| C11 | N2 | C14 | H19 | 177.0° | 170.9° |
| C11 | N2 | C14 | H20 | 56.9° | 68.5° |
| C10 | N2 | C11 | C12 | 114.1° | 128.8° |
| N2 | C10 | O2 | C9 | 178.8° | 180.0° |
| N2 | C10 | C9 | C4 | 80.1° | 103.4° |
| N2 | C10 | C9 | C8 | 100.7° | 75.8° |
| C10 | N2 | C11 | H16 | 2.9° | 9.0° |
| C10 | N2 | C14 | H19 | 10.7° | 9.1° |
| C10 | N2 | C14 | H20 | 130.9° | 111.4° |
| C12 | C11 | C21 | H9 | 37.8° | 54.9° |
| C12 | C11 | C21 | H10 | 157.5° | 65.1° |
| C11 | C12 | H17 | H18 | 117.8° | 120.1° |
| O2 | C10 | C9 | C4 | 101.0° | 76.6° |
| O2 | C10 | C9 | C8 | 78.1° | 104.2° |
| C10 | C9 | C4 | C8 | 179.1° | 179.3° |
| C10 | C9 | C4 | C3 | 179.9° | 180.0° |
| C10 | C9 | C8 | C7 | 179.9° | 179.8° |
| C10 | C9 | C8 | H4 | 0.1° | 0.3° |
| C9 | C4 | C3 | C2 | 179.8° | 180.0° |
| C9 | C4 | C3 | N1 | 0.7° | 0.5° |
| C4 | C9 | C8 | C7 | 0.8° | 0.5° |
| C9 | C4 | C5 | H2 | 0.1° | 0.1° |
| C4 | C9 | C8 | H4 | 179.2° | 179.5° |
| C4 | C3 | C2 | N1 | 179.5° | 179.6° |
| C3 | C4 | C9 | C8 | 0.8° | 0.7° |
| C4 | C3 | N1 | C7 | 0.7° | 0.1° |
| C4 | C3 | N1 | H1 | 179.3° | 179.7° |
| C3 | C4 | C5 | H2 | 179.2° | 180.0° |
| C4 | C3 | C2 | H22 | 179.9° | 180.0° |
| CL2 | C19 | C20 | H8 | 0.9° | 0.3° |
| C2 | C3 | N1 | C7 | 179.8° | 179.5° |
| C2 | C3 | N1 | H1 | 0.2° | 0.1° |
| C3 | C2 | C1 | H15 | 180.0° | 179.9° |
| C9 | C8 | C7 | H4 | 180.0° | 180.0° |
| C9 | C8 | C7 | N1 | 0.7° | 0.0° |
| C9 | C8 | C7 | O1 | 178.9° | 180.0° |
| C3 | N1 | C7 | C8 | 0.6° | 0.3° |
| C3 | N1 | C7 | H1 | 180.0° | 179.6° |
| C3 | N1 | C7 | O1 | 179.0° | 179.7° |
| N1 | C3 | C2 | H22 | 0.4° | 0.4° |
| C8 | C7 | N1 | O1 | 179.7° | 180.0° |
| C8 | C7 | N1 | H1 | 179.3° | 179.9° |
| N1 | C7 | C8 | H4 | 179.3° | 180.0° |
| O1 | C7 | N1 | H1 | 1.0° | 0.1° |
| O1 | C7 | C8 | H4 | 1.0° | 0.0° |
| H2 | C5 | C6 | H3 | 0.7° | 0.1° |
| H3 | C6 | C1 | H15 | 0.3° | 0.0° |
| H5 | C13 | C14 | H19 | 64.9° | 53.6° |
| H5 | C13 | C14 | H20 | 55.2° | 174.2° |
| H6 | C13 | C14 | H19 | 54.0° | 66.6° |
| H6 | C13 | C14 | H20 | 174.2° | 54.1° |
| H7 | C17 | C16 | H21 | 2.2° | 0.1° |
| H9 | C21 | C11 | H16 | 156.3° | 175.2° |
| H10 | C21 | C11 | H16 | 84.0° | 55.3° |
| H11 | C22 | C23 | H23 | 61.3° | 63.3° |
| H11 | C22 | C23 | H24 | 58.1° | 56.8° |
| H12 | C22 | C23 | H23 | 58.5° | 56.8° |
| H12 | C22 | C23 | H24 | 178.0° | 177.0° |
| H13 | C24 | C25 | H25 | 61.3° | 176.9° |
| H13 | C24 | C25 | H26 | 58.5° | 56.8° |
| H14 | C24 | C25 | H25 | 58.0° | 56.9° |
| H14 | C24 | C25 | H26 | 177.9° | 63.2° |
| H15 | C1 | C2 | H22 | 0.0° | 0.0° |
| H16 | C11 | C12 | H17 | 75.4° | 66.3° |
| H16 | C11 | C12 | H18 | 43.2° | 53.8° |
