OHY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | C28 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C28 | sing | 1.51Å | 1.54Å | |
| C11 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| O1 | C9 | doub | 1.22Å | 1.23Å | |
| C15 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | N2 | sing | 1.40Å | 1.41Å | |
| C9 | N2 | sing | 1.34Å | 1.39Å | |
| C9 | N1 | sing | 1.33Å | 1.34Å | |
| N2 | C2 | sing | 1.38Å | 1.41Å | |
| N1 | C8 | doub | 1.32Å | 1.35Å | |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.41Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C1 | sing | 1.47Å | 1.41Å | |
| C8 | N3 | sing | 1.37Å | 1.40Å | |
| C1 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C21 | N3 | sing | 1.47Å | 1.48Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| O2 | C16 | sing | 1.36Å | 1.36Å | |
| N3 | C24 | sing | 1.47Å | 1.47Å | |
| C4 | C7 | sing | 1.48Å | 1.41Å | |
| C4 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C16 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C20 | sing | 1.40Å | 1.41Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | F1 | sing | 1.35Å | 1.35Å | |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.37Å | 1.40Å | Aromatic |
| C22 | N4 | sing | 1.47Å | 1.49Å | |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C5 | CL1 | sing | 1.74Å | 1.72Å | |
| C23 | N4 | sing | 1.47Å | 1.49Å | |
| N4 | C25 | sing | 1.35Å | 1.33Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.51Å | 1.53Å | |
| C25 | O3 | doub | 1.21Å | 1.23Å | |
| C29 | H1 | sing | 1.09Å | 1.10Å | |
| C29 | H2 | sing | 1.09Å | 1.10Å | |
| C29 | H3 | sing | 1.09Å | 1.10Å | |
| C28 | H4 | sing | 1.09Å | 1.10Å | |
| C30 | H5 | sing | 1.09Å | 1.10Å | |
| C30 | H6 | sing | 1.09Å | 1.10Å | |
| C30 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C3 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C6 | H26 | sing | 1.08Å | 1.08Å | |
| C19 | H27 | sing | 1.08Å | 1.08Å | |
| C18 | H28 | sing | 1.08Å | 1.08Å | |
| C17 | H29 | sing | 1.08Å | 1.08Å | |
| O2 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C28 | C11 | 111.1° | 109.5° |
| C30 | C28 | C29 | 110.9° | 109.4° |
| C30 | C28 | H4 | 108.9° | 109.5° |
| C28 | C30 | H5 | 109.5° | 109.5° |
| C28 | C30 | H6 | 109.4° | 109.5° |
| C28 | C30 | H7 | 109.5° | 109.5° |
| C12 | C13 | C14 | 120.9° | 120.1° |
| C13 | C12 | C11 | 119.9° | 120.1° |
| C13 | C12 | H8 | 120.1° | 119.9° |
| C12 | C13 | H9 | 119.5° | 119.9° |
| C13 | C14 | C15 | 119.2° | 120.1° |
| C14 | C13 | H9 | 119.6° | 120.0° |
| C13 | C14 | H10 | 120.4° | 119.9° |
| C12 | C11 | C28 | 121.5° | 120.1° |
| C12 | C11 | C10 | 119.1° | 119.9° |
| C11 | C12 | H8 | 120.1° | 120.0° |
| C14 | C15 | C10 | 120.1° | 119.9° |
| C15 | C14 | H10 | 120.4° | 120.0° |
| C14 | C15 | H11 | 119.9° | 120.0° |
| C28 | C11 | C10 | 119.4° | 120.0° |
| C11 | C28 | C29 | 108.0° | 109.5° |
| C11 | C28 | H4 | 108.8° | 109.5° |
| C11 | C10 | C15 | 120.8° | 119.9° |
| C11 | C10 | N2 | 121.9° | 120.1° |
| C28 | C29 | H1 | 109.5° | 109.5° |
| C28 | C29 | H2 | 109.5° | 109.4° |
| C28 | C29 | H3 | 109.5° | 109.5° |
| C29 | C28 | H4 | 109.1° | 109.5° |
| O1 | C9 | N2 | 119.1° | 118.6° |
| O1 | C9 | N1 | 120.5° | 118.5° |
| C15 | C10 | N2 | 117.3° | 120.0° |
| C10 | C15 | H11 | 119.9° | 120.1° |
| C10 | N2 | C9 | 119.0° | 119.9° |
| C10 | N2 | C2 | 121.4° | 119.9° |
| N2 | C9 | N1 | 120.4° | 122.9° |
| C9 | N2 | C2 | 119.6° | 120.2° |
| C9 | N1 | C8 | 122.2° | 121.8° |
| N2 | C2 | C3 | 120.4° | 121.8° |
| N2 | C2 | C1 | 118.8° | 118.5° |
| N1 | C8 | C1 | 119.8° | 118.5° |
| N1 | C8 | N3 | 116.2° | 120.8° |
| C3 | C2 | C1 | 120.8° | 119.7° |
| C2 | C3 | C4 | 121.7° | 119.5° |
| C2 | C3 | H12 | 119.1° | 120.3° |
| C2 | C1 | C8 | 119.3° | 118.0° |
| C2 | C1 | C6 | 117.8° | 120.1° |
| C3 | C4 | C7 | 118.5° | 119.8° |
| C3 | C4 | C5 | 117.3° | 120.4° |
| C4 | C3 | H12 | 119.1° | 120.3° |
| C1 | C8 | N3 | 123.9° | 120.7° |
| C8 | C1 | C6 | 122.9° | 121.8° |
| C8 | N3 | C21 | 119.2° | 120.6° |
| C8 | N3 | C24 | 119.7° | 120.6° |
| C1 | C6 | C5 | 121.2° | 119.8° |
| C1 | C6 | H26 | 119.4° | 120.1° |
| N3 | C21 | C22 | 112.9° | 108.6° |
| C21 | N3 | C24 | 120.4° | 118.8° |
| N3 | C21 | H17 | 108.6° | 109.6° |
| N3 | C21 | H18 | 108.6° | 109.6° |
| C21 | C22 | N4 | 112.2° | 108.7° |
| C22 | C21 | H17 | 108.6° | 109.6° |
| C22 | C21 | H18 | 108.6° | 109.6° |
| C21 | C22 | H19 | 108.8° | 109.7° |
| C21 | C22 | H20 | 108.8° | 109.6° |
| O2 | C16 | C7 | 120.1° | 120.1° |
| O2 | C16 | C17 | 118.9° | 120.1° |
| C16 | O2 | H30 | 109.5° | 114.1° |
| N3 | C24 | C23 | 112.1° | 108.6° |
| N3 | C24 | H13 | 108.8° | 109.6° |
| N3 | C24 | H14 | 108.8° | 109.6° |
| C7 | C4 | C5 | 124.2° | 119.8° |
| C4 | C7 | C16 | 121.1° | 120.2° |
| C4 | C7 | C20 | 120.7° | 120.2° |
| C4 | C5 | C6 | 121.2° | 120.4° |
| C4 | C5 | CL1 | 120.6° | 119.8° |
| C7 | C16 | C17 | 121.1° | 119.8° |
| C16 | C7 | C20 | 118.2° | 119.6° |
| C16 | C17 | C18 | 120.1° | 120.1° |
| C16 | C17 | H29 | 120.0° | 119.9° |
| C7 | C20 | F1 | 121.2° | 120.0° |
| C7 | C20 | C19 | 120.6° | 119.9° |
| C17 | C18 | C19 | 119.7° | 120.4° |
| C17 | C18 | H28 | 120.2° | 119.8° |
| C18 | C17 | H29 | 120.0° | 119.9° |
| F1 | C20 | C19 | 118.2° | 120.0° |
| C20 | C19 | C18 | 120.4° | 120.2° |
| C20 | C19 | H27 | 119.8° | 120.0° |
| C6 | C5 | CL1 | 118.2° | 119.8° |
| C5 | C6 | H26 | 119.4° | 120.1° |
| C22 | N4 | C23 | 120.9° | 118.7° |
| C22 | N4 | C25 | 120.2° | 120.7° |
| N4 | C22 | H19 | 108.8° | 109.7° |
| N4 | C22 | H20 | 108.8° | 109.5° |
| C18 | C19 | H27 | 119.8° | 119.9° |
| C19 | C18 | H28 | 120.2° | 119.8° |
| C24 | C23 | N4 | 110.6° | 108.7° |
| C23 | C24 | H13 | 108.8° | 109.6° |
| C23 | C24 | H14 | 108.8° | 109.6° |
| C24 | C23 | H15 | 109.2° | 109.6° |
| C24 | C23 | H16 | 109.2° | 109.7° |
| C23 | N4 | C25 | 118.9° | 120.6° |
| N4 | C23 | H15 | 109.2° | 109.6° |
| N4 | C23 | H16 | 109.2° | 109.6° |
| N4 | C25 | C26 | 120.0° | 120.0° |
| N4 | C25 | O3 | 120.2° | 120.0° |
| C27 | C26 | C25 | 109.6° | 109.5° |
| C27 | C26 | H21 | 109.5° | 109.5° |
| C27 | C26 | H22 | 109.4° | 109.5° |
| C26 | C27 | H23 | 109.5° | 109.5° |
| C26 | C27 | H24 | 109.5° | 109.5° |
| C26 | C27 | H25 | 109.5° | 109.5° |
| C26 | C25 | O3 | 119.8° | 120.0° |
| C25 | C26 | H21 | 109.4° | 109.5° |
| C25 | C26 | H22 | 109.4° | 109.4° |
| H1 | C29 | H2 | 109.4° | 109.5° |
| H1 | C29 | H3 | 109.4° | 109.5° |
| H2 | C29 | H3 | 109.5° | 109.5° |
| H5 | C30 | H6 | 109.5° | 109.5° |
| H5 | C30 | H7 | 109.4° | 109.4° |
| H6 | C30 | H7 | 109.5° | 109.4° |
| H13 | C24 | H14 | 109.4° | 109.8° |
| H15 | C23 | H16 | 109.4° | 109.7° |
| H17 | C21 | H18 | 109.5° | 109.8° |
| H19 | C22 | H20 | 109.5° | 109.8° |
| H21 | C26 | H22 | 109.4° | 109.5° |
| H23 | C27 | H24 | 109.5° | 109.4° |
| H23 | C27 | H25 | 109.5° | 109.5° |
| H24 | C27 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C28 | C11 | C12 | 61.0° | 60.2° |
| C30 | C28 | C11 | C29 | 121.8° | 120.0° |
| C30 | C28 | C11 | H4 | 119.9° | 120.0° |
| C30 | C28 | C11 | C10 | 120.1° | 120.0° |
| C30 | C28 | C29 | H4 | 119.9° | 120.0° |
| C30 | C28 | C29 | H1 | 180.0° | 60.0° |
| C30 | C28 | C29 | H2 | 60.0° | 180.0° |
| C30 | C28 | C29 | H3 | 60.0° | 60.0° |
| C28 | C30 | H5 | H6 | 120.0° | 120.0° |
| C28 | C30 | H5 | H7 | 120.0° | 120.0° |
| C28 | C30 | H6 | H7 | 120.0° | 120.0° |
| C12 | C13 | C14 | H9 | 180.0° | 180.0° |
| C13 | C12 | C11 | H8 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.0° |
| C13 | C12 | C11 | C28 | 179.5° | 180.0° |
| C13 | C12 | C11 | C10 | 0.7° | 0.3° |
| C12 | C13 | C14 | H10 | 179.7° | 180.0° |
| C14 | C13 | C12 | C11 | 0.7° | 0.0° |
| C13 | C14 | C15 | H10 | 180.0° | 180.0° |
| C13 | C14 | C15 | C10 | 0.0° | 0.3° |
| C14 | C13 | C12 | H8 | 179.3° | 180.0° |
| C13 | C14 | C15 | H11 | 180.0° | 180.0° |
| C12 | C11 | C28 | C10 | 178.8° | 179.7° |
| C12 | C11 | C28 | C29 | 60.8° | 59.7° |
| C12 | C11 | C10 | C15 | 0.3° | 0.5° |
| C12 | C11 | C10 | N2 | 179.2° | 179.7° |
| C12 | C11 | C28 | H4 | 179.1° | 179.7° |
| C11 | C12 | C13 | H9 | 179.3° | 180.0° |
| C14 | C15 | C10 | C11 | 0.0° | 0.5° |
| C14 | C15 | C10 | H11 | 180.0° | 179.8° |
| C14 | C15 | C10 | N2 | 179.6° | 179.8° |
| C15 | C14 | C13 | H9 | 179.7° | 180.0° |
| C11 | C28 | C29 | H4 | 118.2° | 120.0° |
| C28 | C11 | C10 | C15 | 179.2° | 179.8° |
| C28 | C11 | C10 | N2 | 0.3° | 0.0° |
| C11 | C28 | C29 | H1 | 58.1° | 180.0° |
| C11 | C28 | C29 | H2 | 178.1° | 60.0° |
| C11 | C28 | C29 | H3 | 61.9° | 60.0° |
| C11 | C28 | C30 | H5 | 180.0° | 60.0° |
| C11 | C28 | C30 | H6 | 60.0° | 60.1° |
| C11 | C28 | C30 | H7 | 60.0° | 180.0° |
| C28 | C11 | C12 | H8 | 0.5° | 0.0° |
| C10 | C11 | C28 | C29 | 118.0° | 120.0° |
| C11 | C10 | C15 | N2 | 179.6° | 179.7° |
| C11 | C10 | N2 | C9 | 84.7° | 89.7° |
| C11 | C10 | N2 | C2 | 97.5° | 90.0° |
| C10 | C11 | C28 | H4 | 0.3° | 0.0° |
| C10 | C11 | C12 | H8 | 179.3° | 179.7° |
| C11 | C10 | C15 | H11 | 180.0° | 179.7° |
| C28 | C29 | H1 | H2 | 120.0° | 119.9° |
| C28 | C29 | H1 | H3 | 120.0° | 120.0° |
| C28 | C29 | H2 | H3 | 120.0° | 120.0° |
| C29 | C28 | C30 | H5 | 59.9° | 60.0° |
| C29 | C28 | C30 | H6 | 179.9° | 180.0° |
| C29 | C28 | C30 | H7 | 60.1° | 60.0° |
| O1 | C9 | N2 | C10 | 1.9° | 0.1° |
| O1 | C9 | N2 | N1 | 179.3° | 180.0° |
| O1 | C9 | N2 | C2 | 179.7° | 179.8° |
| O1 | C9 | N1 | C8 | 179.8° | 180.0° |
| C15 | C10 | N2 | C9 | 95.7° | 90.0° |
| C15 | C10 | N2 | C2 | 82.0° | 90.3° |
| C10 | C15 | C14 | H10 | 180.0° | 179.8° |
| C10 | N2 | C9 | C2 | 177.8° | 179.7° |
| C10 | N2 | C9 | N1 | 178.8° | 180.0° |
| C10 | N2 | C2 | C3 | 1.6° | 0.1° |
| C10 | N2 | C2 | C1 | 178.3° | 180.0° |
| N2 | C10 | C15 | H11 | 0.4° | 0.0° |
| N2 | C9 | N1 | C8 | 0.9° | 0.0° |
| C9 | N2 | C2 | C3 | 179.3° | 179.8° |
| C9 | N2 | C2 | C1 | 0.6° | 0.3° |
| N1 | C9 | N2 | C2 | 1.0° | 0.3° |
| C9 | N1 | C8 | C1 | 0.3° | 0.2° |
| C9 | N1 | C8 | N3 | 179.0° | 180.0° |
| N2 | C2 | C3 | C1 | 179.9° | 180.0° |
| N2 | C2 | C3 | C4 | 179.9° | 180.0° |
| N2 | C2 | C1 | C8 | 0.0° | 0.1° |
| N2 | C2 | C1 | C6 | 179.8° | 180.0° |
| N2 | C2 | C3 | H12 | 0.0° | 0.0° |
| N1 | C8 | C1 | C2 | 0.1° | 0.1° |
| N1 | C8 | C1 | N3 | 178.6° | 179.8° |
| N1 | C8 | C1 | C6 | 180.0° | 179.8° |
| N1 | C8 | N3 | C21 | 25.1° | 144.1° |
| N1 | C8 | N3 | C24 | 145.0° | 35.6° |
| C2 | C3 | C4 | H12 | 180.0° | 180.0° |
| C3 | C2 | C1 | C8 | 179.9° | 180.0° |
| C3 | C2 | C1 | C6 | 0.3° | 0.0° |
| C2 | C3 | C4 | C7 | 179.3° | 179.9° |
| C2 | C3 | C4 | C5 | 0.1° | 0.1° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C2 | C1 | C8 | C6 | 179.8° | 180.0° |
| C2 | C1 | C8 | N3 | 178.5° | 180.0° |
| C2 | C1 | C6 | C5 | 0.6° | 0.0° |
| C1 | C2 | C3 | H12 | 180.0° | 180.0° |
| C2 | C1 | C6 | H26 | 179.3° | 180.0° |
| C3 | C4 | C7 | C5 | 179.4° | 179.9° |
| C3 | C4 | C7 | C16 | 65.6° | 90.3° |
| C3 | C4 | C7 | C20 | 111.8° | 90.0° |
| C3 | C4 | C5 | C6 | 0.5° | 0.1° |
| C3 | C4 | C5 | CL1 | 179.8° | 180.0° |
| C1 | C8 | N3 | C21 | 156.3° | 36.0° |
| C1 | C8 | N3 | C24 | 33.6° | 144.2° |
| C8 | C1 | C6 | C5 | 179.5° | 180.0° |
| C8 | C1 | C6 | H26 | 0.5° | 0.0° |
| N3 | C8 | C1 | C6 | 1.3° | 0.0° |
| C8 | N3 | C21 | C24 | 170.0° | 179.7° |
| C8 | N3 | C21 | C22 | 168.4° | 124.7° |
| C8 | N3 | C24 | C23 | 142.0° | 124.8° |
| C8 | N3 | C24 | H13 | 21.6° | 115.5° |
| C8 | N3 | C24 | H14 | 97.6° | 5.1° |
| C8 | N3 | C21 | H17 | 47.8° | 5.0° |
| C8 | N3 | C21 | H18 | 71.1° | 115.5° |
| C1 | C6 | C5 | C4 | 0.8° | 0.1° |
| C1 | C6 | C5 | H26 | 180.0° | 180.0° |
| C1 | C6 | C5 | CL1 | 179.5° | 180.0° |
| N3 | C21 | C22 | H17 | 120.5° | 119.7° |
| N3 | C21 | C22 | H18 | 120.5° | 119.8° |
| N3 | C21 | C22 | N4 | 45.5° | 49.5° |
| C21 | N3 | C24 | C23 | 27.9° | 55.0° |
| C21 | N3 | C24 | H13 | 148.4° | 64.7° |
| C21 | N3 | C24 | H14 | 92.4° | 174.7° |
| N3 | C21 | H17 | H18 | 118.4° | 120.4° |
| N3 | C21 | C22 | H19 | 74.9° | 70.3° |
| N3 | C21 | C22 | H20 | 165.9° | 169.1° |
| C22 | C21 | N3 | C24 | 21.6° | 55.0° |
| C21 | C22 | N4 | H19 | 120.4° | 119.9° |
| C21 | C22 | N4 | H20 | 120.4° | 119.7° |
| C21 | C22 | N4 | C23 | 20.6° | 55.5° |
| C21 | C22 | N4 | C25 | 159.5° | 124.7° |
| C22 | C21 | H17 | H18 | 118.5° | 120.4° |
| C21 | C22 | H19 | H20 | 118.7° | 120.4° |
| O2 | C16 | C7 | C4 | 1.5° | 0.1° |
| O2 | C16 | C7 | C17 | 179.3° | 179.7° |
| O2 | C16 | C7 | C20 | 179.0° | 179.8° |
| O2 | C16 | C17 | C18 | 179.7° | 179.8° |
| O2 | C16 | C17 | H29 | 0.3° | 0.0° |
| N3 | C24 | C23 | H13 | 120.4° | 119.7° |
| N3 | C24 | C23 | H14 | 120.4° | 119.7° |
| N3 | C24 | C23 | N4 | 51.9° | 49.5° |
| N3 | C24 | H13 | H14 | 118.8° | 120.5° |
| N3 | C24 | C23 | H15 | 68.3° | 169.2° |
| N3 | C24 | C23 | H16 | 172.1° | 70.4° |
| C24 | N3 | C21 | H17 | 142.1° | 174.7° |
| C24 | N3 | C21 | H18 | 98.9° | 64.8° |
| C4 | C7 | C16 | C20 | 177.5° | 179.7° |
| C4 | C7 | C16 | C17 | 179.2° | 179.8° |
| C4 | C7 | C20 | F1 | 1.9° | 0.0° |
| C4 | C7 | C20 | C19 | 179.4° | 179.9° |
| C7 | C4 | C5 | C6 | 178.9° | 180.0° |
| C7 | C4 | C5 | CL1 | 0.9° | 0.1° |
| C7 | C4 | C3 | H12 | 0.7° | 0.0° |
| C5 | C4 | C7 | C16 | 115.0° | 89.6° |
| C5 | C4 | C7 | C20 | 67.6° | 90.1° |
| C4 | C5 | C6 | CL1 | 179.7° | 179.9° |
| C5 | C4 | C3 | H12 | 179.9° | 179.9° |
| C4 | C5 | C6 | H26 | 179.2° | 179.9° |
| C7 | C16 | C17 | C18 | 1.1° | 0.5° |
| C16 | C7 | C20 | F1 | 179.5° | 179.7° |
| C16 | C7 | C20 | C19 | 1.9° | 0.3° |
| C7 | C16 | C17 | H29 | 179.0° | 179.7° |
| C7 | C16 | O2 | H30 | 180.0° | 89.9° |
| C17 | C16 | C7 | C20 | 1.7° | 0.5° |
| C16 | C17 | C18 | H29 | 180.0° | 179.8° |
| C16 | C17 | C18 | C19 | 0.5° | 0.3° |
| C16 | C17 | C18 | H28 | 179.5° | 179.8° |
| C17 | C16 | O2 | H30 | 0.7° | 89.8° |
| C7 | C20 | F1 | C19 | 178.7° | 179.9° |
| C7 | C20 | C19 | C18 | 1.4° | 0.0° |
| C7 | C20 | C19 | H27 | 178.7° | 180.0° |
| C17 | C18 | C19 | C20 | 0.7° | 0.0° |
| C17 | C18 | C19 | H28 | 180.0° | 180.0° |
| C17 | C18 | C19 | H27 | 179.3° | 180.0° |
| F1 | C20 | C19 | C18 | 179.9° | 179.9° |
| F1 | C20 | C19 | H27 | 0.1° | 0.1° |
| C20 | C19 | C18 | H27 | 180.0° | 180.0° |
| C20 | C19 | C18 | H28 | 179.3° | 180.0° |
| C22 | N4 | C23 | C24 | 27.9° | 55.5° |
| C22 | N4 | C23 | C25 | 179.9° | 179.8° |
| C22 | N4 | C25 | C26 | 1.0° | 0.2° |
| C22 | N4 | C25 | O3 | 179.8° | 179.8° |
| C22 | N4 | C23 | H15 | 92.2° | 175.2° |
| C22 | N4 | C23 | H16 | 148.1° | 64.3° |
| N4 | C22 | C21 | H17 | 166.0° | 169.2° |
| N4 | C22 | C21 | H18 | 75.0° | 70.2° |
| N4 | C22 | H19 | H20 | 118.8° | 120.3° |
| C19 | C18 | C17 | H29 | 179.5° | 180.0° |
| C24 | C23 | N4 | H15 | 120.2° | 119.7° |
| C24 | C23 | N4 | H16 | 120.2° | 119.8° |
| C24 | C23 | N4 | C25 | 151.9° | 124.7° |
| C23 | C24 | H13 | H14 | 118.8° | 120.4° |
| C24 | C23 | H15 | H16 | 119.5° | 120.4° |
| CL1 | C5 | C6 | H26 | 0.6° | 0.0° |
| C23 | N4 | C25 | C26 | 179.2° | 180.0° |
| C23 | N4 | C25 | O3 | 0.4° | 0.0° |
| N4 | C23 | C24 | H13 | 172.3° | 70.3° |
| N4 | C23 | C24 | H14 | 68.5° | 169.2° |
| N4 | C23 | H15 | H16 | 119.5° | 120.4° |
| C23 | N4 | C22 | H19 | 99.8° | 64.4° |
| C23 | N4 | C22 | H20 | 141.0° | 175.2° |
| N4 | C25 | C26 | C27 | 110.4° | 180.0° |
| N4 | C25 | C26 | O3 | 178.8° | 180.0° |
| C25 | N4 | C23 | H15 | 87.9° | 5.0° |
| C25 | N4 | C23 | H16 | 31.7° | 115.5° |
| C25 | N4 | C22 | H19 | 80.1° | 115.5° |
| C25 | N4 | C22 | H20 | 39.1° | 5.0° |
| N4 | C25 | C26 | H21 | 9.6° | 60.0° |
| N4 | C25 | C26 | H22 | 129.5° | 60.0° |
| C27 | C26 | C25 | H21 | 120.0° | 120.0° |
| C27 | C26 | C25 | H22 | 120.0° | 120.0° |
| C27 | C26 | C25 | O3 | 68.4° | 0.0° |
| C27 | C26 | H21 | H22 | 119.9° | 120.0° |
| C26 | C27 | H23 | H24 | 120.0° | 120.0° |
| C26 | C27 | H23 | H25 | 120.0° | 120.0° |
| C26 | C27 | H24 | H25 | 120.0° | 120.1° |
| C25 | C26 | H21 | H22 | 119.9° | 120.0° |
| C25 | C26 | C27 | H23 | 180.0° | 60.1° |
| C25 | C26 | C27 | H24 | 60.0° | 180.0° |
| C25 | C26 | C27 | H25 | 60.0° | 60.0° |
| O3 | C25 | C26 | H21 | 171.6° | 120.0° |
| O3 | C25 | C26 | H22 | 51.7° | 120.0° |
| H1 | C29 | H2 | H3 | 120.0° | 120.1° |
| H1 | C29 | C28 | H4 | 60.1° | 60.0° |
| H2 | C29 | C28 | H4 | 59.9° | 60.0° |
| H3 | C29 | C28 | H4 | 179.9° | 180.0° |
| H4 | C28 | C30 | H5 | 60.2° | 180.0° |
| H4 | C28 | C30 | H6 | 59.9° | 60.0° |
| H4 | C28 | C30 | H7 | 179.8° | 60.0° |
| H5 | C30 | H6 | H7 | 120.0° | 119.9° |
| H8 | C12 | C13 | H9 | 0.7° | 0.0° |
| H9 | C13 | C14 | H10 | 0.3° | 0.0° |
| H10 | C14 | C15 | H11 | 0.0° | 0.0° |
| H13 | C24 | C23 | H15 | 52.1° | 49.5° |
| H13 | C24 | C23 | H16 | 67.5° | 169.9° |
| H14 | C24 | C23 | H15 | 171.3° | 71.1° |
| H14 | C24 | C23 | H16 | 51.7° | 49.4° |
| H17 | C21 | C22 | H19 | 45.6° | 49.4° |
| H17 | C21 | C22 | H20 | 73.6° | 71.2° |
| H18 | C21 | C22 | H19 | 164.6° | 169.9° |
| H18 | C21 | C22 | H20 | 45.4° | 49.3° |
| H21 | C26 | C27 | H23 | 60.0° | 60.0° |
| H21 | C26 | C27 | H24 | 60.0° | 59.9° |
| H21 | C26 | C27 | H25 | 180.0° | NaN° |
| H22 | C26 | C27 | H23 | 59.9° | 180.0° |
| H22 | C26 | C27 | H24 | 179.9° | 60.1° |
| H22 | C26 | C27 | H25 | 60.1° | 60.0° |
| H23 | C27 | H24 | H25 | 120.0° | 120.0° |
| H27 | C19 | C18 | H28 | 0.7° | 0.0° |
| H28 | C18 | C17 | H29 | 0.5° | 0.0° |
