A1I9L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | sing | 1.53Å | 1.50Å | |
| C14 | O1 | sing | 1.43Å | 1.42Å | |
| O2 | C26 | doub | 1.22Å | 1.24Å | |
| C13 | N3 | sing | 1.47Å | 1.46Å | |
| C15 | O1 | sing | 1.43Å | 1.42Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| N5 | C26 | sing | 1.35Å | 1.32Å | |
| C26 | C24 | sing | 1.48Å | 1.50Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| N | C | sing | 1.35Å | 1.33Å | |
| N3 | C7 | sing | 1.38Å | 1.41Å | |
| C24 | C25 | doub | 1.40Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.40Å | 1.39Å | Aromatic |
| C25 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C7 | doub | 1.31Å | 1.34Å | Aromatic |
| N1 | C5 | sing | 1.34Å | 1.38Å | Aromatic |
| N4 | C18 | sing | 1.47Å | 1.47Å | |
| N4 | C19 | sing | 1.47Å | 1.46Å | |
| C6 | C5 | sing | 1.40Å | 1.42Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.46Å | 1.45Å | Aromatic |
| C | C1 | sing | 1.48Å | 1.51Å | |
| C | O | doub | 1.22Å | 1.25Å | |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.51Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.41Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | O3 | sing | 1.36Å | 1.40Å | |
| C8 | C9 | doub | 1.40Å | 1.42Å | Aromatic |
| C8 | C12 | sing | 1.42Å | 1.41Å | Aromatic |
| C4 | C12 | sing | 1.47Å | 1.44Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.41Å | Aromatic |
| C9 | C10 | sing | 1.37Å | 1.36Å | Aromatic |
| C2 | C3 | doub | 1.36Å | 1.36Å | Aromatic |
| O3 | C27 | sing | 1.43Å | 1.34Å | |
| C12 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| F | C27 | sing | 1.40Å | 1.32Å | |
| C27 | F1 | sing | 1.40Å | 1.34Å | |
| C27 | F2 | sing | 1.40Å | 1.32Å | |
| C10 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C11 | N2 | sing | 1.32Å | 1.33Å | Aromatic |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| N5 | H22 | sing | 0.97Å | 1.00Å | |
| N5 | H23 | sing | 0.97Å | 1.00Å | |
| N4 | H24 | sing | 1.01Å | 1.00Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å | |
| C13 | H27 | sing | 1.09Å | 1.10Å | |
| N3 | H28 | sing | 0.97Å | 1.00Å | |
| N | H29 | sing | 0.97Å | 1.00Å | |
| N | H30 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | O1 | 109.6° | 109.5° |
| C14 | C13 | N3 | 111.8° | 109.5° |
| C13 | C14 | H12 | 109.4° | 109.4° |
| C13 | C14 | H13 | 109.4° | 109.5° |
| C14 | C13 | H26 | 108.9° | 109.5° |
| C14 | C13 | H27 | 108.9° | 109.4° |
| C14 | O1 | C15 | 112.4° | 114.0° |
| O1 | C14 | H12 | 109.4° | 109.5° |
| O1 | C14 | H13 | 109.4° | 109.5° |
| O2 | C26 | N5 | 122.8° | 120.0° |
| O2 | C26 | C24 | 119.4° | 120.0° |
| C13 | N3 | C7 | 124.0° | 119.9° |
| N3 | C13 | H26 | 108.9° | 109.5° |
| N3 | C13 | H27 | 108.9° | 109.5° |
| C13 | N3 | H28 | 105.7° | 120.1° |
| O1 | C15 | C16 | 108.9° | 109.5° |
| O1 | C15 | H3 | 109.6° | 109.5° |
| O1 | C15 | H4 | 109.6° | 109.4° |
| C15 | C16 | C17 | 112.4° | 109.5° |
| C16 | C15 | H3 | 109.6° | 109.5° |
| C16 | C15 | H4 | 109.6° | 109.5° |
| C15 | C16 | H14 | 108.7° | 109.5° |
| C15 | C16 | H15 | 108.8° | 109.5° |
| N5 | C26 | C24 | 117.8° | 120.0° |
| C26 | N5 | H22 | 120.0° | 120.0° |
| C26 | N5 | H23 | 120.0° | 120.0° |
| C26 | C24 | C25 | 119.1° | 120.1° |
| C26 | C24 | C23 | 121.1° | 120.1° |
| C16 | C17 | C18 | 113.1° | 109.5° |
| C16 | C17 | H5 | 108.5° | 109.5° |
| C16 | C17 | H6 | 108.6° | 109.5° |
| C17 | C16 | H14 | 108.7° | 109.5° |
| C17 | C16 | H15 | 108.7° | 109.5° |
| C17 | C18 | N4 | 111.9° | 109.5° |
| C18 | C17 | H5 | 108.6° | 109.5° |
| C18 | C17 | H6 | 108.5° | 109.5° |
| C17 | C18 | H16 | 108.9° | 109.5° |
| C17 | C18 | H17 | 108.9° | 109.5° |
| N | C | C1 | 117.7° | 119.9° |
| N | C | O | 122.8° | 120.0° |
| C | N | H29 | 120.0° | 120.0° |
| C | N | H30 | 120.0° | 119.9° |
| N3 | C7 | N1 | 120.0° | 119.8° |
| N3 | C7 | C8 | 117.2° | 119.7° |
| C7 | N3 | H28 | 105.7° | 120.0° |
| C25 | C24 | C23 | 119.8° | 119.8° |
| C24 | C25 | C20 | 120.7° | 119.9° |
| C24 | C25 | H21 | 119.6° | 120.0° |
| C24 | C23 | C22 | 119.3° | 119.8° |
| C24 | C23 | H20 | 120.4° | 120.1° |
| C25 | C20 | C19 | 120.4° | 119.9° |
| C25 | C20 | C21 | 119.3° | 120.3° |
| C20 | C25 | H21 | 119.7° | 120.0° |
| C7 | N1 | C5 | 119.1° | 123.4° |
| N1 | C7 | C8 | 122.8° | 120.6° |
| N1 | C5 | C6 | 118.0° | 120.0° |
| N1 | C5 | C4 | 122.7° | 121.1° |
| C18 | N4 | C19 | 112.1° | 111.0° |
| N4 | C18 | H16 | 108.9° | 109.4° |
| N4 | C18 | H17 | 108.9° | 109.4° |
| C18 | N4 | H24 | 108.8° | 111.0° |
| N4 | C19 | C20 | 112.9° | 109.4° |
| N4 | C19 | H18 | 108.6° | 109.5° |
| N4 | C19 | H19 | 108.6° | 109.5° |
| C19 | N4 | H24 | 108.8° | 111.0° |
| C5 | C6 | C1 | 121.0° | 119.8° |
| C6 | C5 | C4 | 119.2° | 118.9° |
| C5 | C6 | H1 | 119.5° | 120.1° |
| C6 | C1 | C | 120.8° | 119.7° |
| C6 | C1 | C2 | 119.4° | 120.4° |
| C1 | C6 | H1 | 119.5° | 120.1° |
| C7 | C8 | C9 | 124.3° | 123.0° |
| C7 | C8 | C12 | 117.6° | 118.7° |
| C1 | C | O | 119.2° | 120.0° |
| C | C1 | C2 | 119.9° | 119.8° |
| C23 | C22 | C21 | 121.1° | 120.1° |
| C23 | C22 | O3 | 121.2° | 120.0° |
| C22 | C23 | H20 | 120.4° | 120.1° |
| C19 | C20 | C21 | 120.2° | 119.8° |
| C20 | C19 | H18 | 108.6° | 109.5° |
| C20 | C19 | H19 | 108.6° | 109.4° |
| C20 | C21 | C22 | 119.7° | 120.2° |
| C20 | C21 | H7 | 120.1° | 119.9° |
| C5 | C4 | C12 | 118.1° | 118.5° |
| C5 | C4 | C3 | 118.1° | 120.2° |
| C1 | C2 | C3 | 120.6° | 120.5° |
| C1 | C2 | H8 | 119.7° | 119.8° |
| C21 | C22 | O3 | 117.6° | 119.9° |
| C22 | C21 | H7 | 120.1° | 119.9° |
| C22 | O3 | C27 | 119.4° | 117.0° |
| C9 | C8 | C12 | 118.1° | 118.3° |
| C8 | C9 | C10 | 119.2° | 118.5° |
| C8 | C9 | H10 | 120.4° | 120.7° |
| C8 | C12 | C4 | 119.5° | 117.7° |
| C8 | C12 | C11 | 116.9° | 119.0° |
| C12 | C4 | C3 | 123.8° | 121.3° |
| C4 | C12 | C11 | 123.6° | 123.3° |
| C4 | C3 | C2 | 121.7° | 120.2° |
| C4 | C3 | H9 | 119.1° | 119.9° |
| C9 | C10 | N2 | 124.1° | 121.8° |
| C9 | C10 | H2 | 117.9° | 119.1° |
| C10 | C9 | H10 | 120.4° | 120.8° |
| C3 | C2 | H8 | 119.7° | 119.8° |
| C2 | C3 | H9 | 119.2° | 120.0° |
| O3 | C27 | F | 108.2° | 109.4° |
| O3 | C27 | F1 | 115.4° | 109.5° |
| O3 | C27 | F2 | 110.6° | 109.5° |
| C12 | C11 | N2 | 124.3° | 119.8° |
| C12 | C11 | H11 | 117.8° | 120.1° |
| F | C27 | F1 | 108.6° | 109.5° |
| F | C27 | F2 | 107.1° | 109.5° |
| F1 | C27 | F2 | 106.6° | 109.5° |
| C10 | N2 | C11 | 117.4° | 122.6° |
| N2 | C10 | H2 | 118.0° | 119.1° |
| N2 | C11 | H11 | 117.9° | 120.2° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H5 | C17 | H6 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.5° | 109.4° |
| H16 | C18 | H17 | 109.5° | 109.5° |
| H18 | C19 | H19 | 109.5° | 109.5° |
| H22 | N5 | H23 | 120.0° | 120.1° |
| H26 | C13 | H27 | 109.5° | 109.5° |
| H29 | N | H30 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | O1 | H12 | 120.0° | 120.0° |
| C13 | C14 | O1 | H13 | 120.0° | 120.0° |
| C14 | C13 | N3 | H26 | 120.4° | 120.0° |
| C14 | C13 | N3 | H27 | 120.4° | 120.0° |
| C13 | C14 | O1 | C15 | 168.8° | 179.9° |
| C14 | C13 | N3 | C7 | 70.9° | 180.0° |
| C13 | C14 | H12 | H13 | 120.0° | 120.0° |
| C14 | C13 | H26 | H27 | 118.9° | 120.0° |
| C14 | C13 | N3 | H28 | 51.1° | 0.0° |
| O1 | C14 | C13 | N3 | 67.1° | 65.0° |
| C14 | O1 | C15 | C16 | 164.8° | 180.0° |
| C14 | O1 | C15 | H3 | 44.9° | 60.0° |
| C14 | O1 | C15 | H4 | 75.3° | 60.0° |
| O1 | C14 | H12 | H13 | 119.9° | 120.0° |
| O1 | C14 | C13 | H26 | 53.3° | 175.0° |
| O1 | C14 | C13 | H27 | 172.6° | 55.0° |
| O2 | C26 | N5 | C24 | 179.8° | 180.0° |
| O2 | C26 | C24 | C25 | 20.3° | 0.0° |
| O2 | C26 | C24 | C23 | 157.0° | 180.0° |
| O2 | C26 | N5 | H22 | 0.0° | 180.0° |
| O2 | C26 | N5 | H23 | 180.0° | 0.0° |
| C13 | N3 | C7 | H28 | 122.0° | 180.0° |
| C13 | N3 | C7 | N1 | 7.2° | 0.5° |
| C13 | N3 | C7 | C8 | 172.2° | 180.0° |
| N3 | C13 | C14 | H12 | 52.9° | 55.0° |
| N3 | C13 | C14 | H13 | 172.9° | 175.0° |
| N3 | C13 | H26 | H27 | 118.9° | 120.1° |
| O1 | C15 | C16 | H3 | 119.9° | 120.0° |
| O1 | C15 | C16 | H4 | 119.9° | 119.9° |
| O1 | C15 | C16 | C17 | 169.9° | 180.0° |
| O1 | C15 | H3 | H4 | 120.2° | 120.0° |
| C15 | O1 | C14 | H12 | 71.2° | 60.0° |
| C15 | O1 | C14 | H13 | 48.8° | 60.0° |
| O1 | C15 | C16 | H14 | 69.7° | 60.0° |
| O1 | C15 | C16 | H15 | 49.5° | 59.9° |
| C15 | C16 | C17 | H14 | 120.4° | 120.0° |
| C15 | C16 | C17 | H15 | 120.5° | 120.0° |
| C15 | C16 | C17 | C18 | 171.5° | 180.0° |
| C16 | C15 | H3 | H4 | 120.3° | 120.0° |
| C15 | C16 | C17 | H5 | 50.9° | 60.0° |
| C15 | C16 | C17 | H6 | 68.0° | 60.0° |
| C15 | C16 | H14 | H15 | 118.7° | 120.0° |
| N5 | C26 | C24 | C25 | 159.9° | 180.0° |
| N5 | C26 | C24 | C23 | 22.8° | 0.0° |
| C26 | N5 | H22 | H23 | 180.0° | 180.0° |
| C26 | C24 | C25 | C23 | 177.4° | 179.9° |
| C26 | C24 | C25 | C20 | 175.9° | 179.8° |
| C26 | C24 | C23 | C22 | 175.9° | 179.9° |
| C26 | C24 | C23 | H20 | 4.1° | 0.0° |
| C26 | C24 | C25 | H21 | 4.1° | 0.3° |
| C24 | C26 | N5 | H22 | 179.8° | 0.0° |
| C24 | C26 | N5 | H23 | 0.1° | 180.0° |
| C16 | C17 | C18 | H5 | 120.5° | 120.0° |
| C16 | C17 | C18 | H6 | 120.5° | 120.0° |
| C16 | C17 | C18 | N4 | 179.7° | 180.0° |
| C17 | C16 | C15 | H3 | 50.0° | 60.0° |
| C17 | C16 | C15 | H4 | 70.2° | 60.0° |
| C16 | C17 | H5 | H6 | 118.4° | 120.0° |
| C17 | C16 | H14 | H15 | 118.7° | 120.0° |
| C16 | C17 | C18 | H16 | 60.0° | 60.0° |
| C16 | C17 | C18 | H17 | 59.3° | 60.0° |
| C17 | C18 | N4 | H16 | 120.4° | 120.0° |
| C17 | C18 | N4 | H17 | 120.4° | 120.0° |
| C17 | C18 | N4 | C19 | 174.4° | 180.0° |
| C18 | C17 | H5 | H6 | 118.3° | 120.0° |
| C18 | C17 | C16 | H14 | 68.1° | 60.0° |
| C18 | C17 | C16 | H15 | 51.0° | 60.0° |
| C17 | C18 | H16 | H17 | 118.9° | 120.0° |
| C17 | C18 | N4 | H24 | 65.2° | 56.0° |
| N | C | C1 | C6 | 27.7° | 180.0° |
| N | C | C1 | O | 173.9° | 180.0° |
| N | C | C1 | C2 | 154.4° | 0.0° |
| C | N | H29 | H30 | 180.0° | 180.0° |
| N3 | C7 | N1 | C8 | 179.4° | 179.5° |
| N3 | C7 | N1 | C5 | 179.1° | 179.8° |
| N3 | C7 | C8 | C9 | 3.2° | 0.1° |
| N3 | C7 | C8 | C12 | 177.3° | 180.0° |
| C7 | N3 | C13 | H26 | 168.7° | 60.0° |
| C7 | N3 | C13 | H27 | 49.4° | 60.1° |
| C24 | C25 | C20 | H21 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 1.4° | 0.0° |
| C24 | C25 | C20 | C19 | 178.0° | 180.0° |
| C24 | C25 | C20 | C21 | 0.1° | 0.5° |
| C25 | C24 | C23 | H20 | 178.6° | 180.0° |
| C23 | C24 | C25 | C20 | 1.5° | 0.3° |
| C24 | C23 | C22 | H20 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 0.2° | 0.1° |
| C24 | C23 | C22 | O3 | 175.9° | 180.0° |
| C23 | C24 | C25 | H21 | 178.6° | 179.7° |
| C25 | C20 | C19 | N4 | 82.2° | 90.0° |
| C25 | C20 | C19 | C21 | 178.1° | 179.5° |
| C25 | C20 | C21 | C22 | 1.7° | 0.5° |
| C25 | C20 | C21 | H7 | 178.3° | 179.8° |
| C25 | C20 | C19 | H18 | 38.3° | 150.0° |
| C25 | C20 | C19 | H19 | 157.3° | 30.0° |
| C7 | N1 | C5 | C6 | 179.8° | 180.0° |
| C7 | N1 | C5 | C4 | 1.9° | 0.0° |
| N1 | C7 | C8 | C9 | 177.4° | 179.5° |
| N1 | C7 | C8 | C12 | 2.1° | 0.5° |
| N1 | C7 | N3 | H28 | 129.2° | 179.5° |
| N1 | C5 | C6 | C4 | 178.4° | 180.0° |
| N1 | C5 | C6 | C1 | 176.3° | 180.0° |
| C5 | N1 | C7 | C8 | 0.2° | 0.2° |
| N1 | C5 | C4 | C12 | 2.0° | 0.0° |
| N1 | C5 | C4 | C3 | 176.5° | 179.7° |
| N1 | C5 | C6 | H1 | 3.7° | 0.0° |
| C18 | N4 | C19 | H24 | 120.4° | 124.0° |
| C18 | N4 | C19 | C20 | 178.1° | 180.0° |
| N4 | C18 | C17 | H5 | 59.1° | 60.0° |
| N4 | C18 | C17 | H6 | 59.8° | 60.0° |
| N4 | C18 | H16 | H17 | 118.9° | 120.0° |
| C18 | N4 | C19 | H18 | 61.4° | 60.0° |
| C18 | N4 | C19 | H19 | 57.6° | 60.0° |
| N4 | C19 | C20 | H18 | 120.5° | 120.1° |
| N4 | C19 | C20 | H19 | 120.5° | 120.0° |
| N4 | C19 | C20 | C21 | 95.9° | 90.5° |
| C19 | N4 | C18 | H16 | 54.0° | 60.0° |
| C19 | N4 | C18 | H17 | 65.2° | 60.0° |
| N4 | C19 | H18 | H19 | 118.4° | 120.0° |
| C5 | C6 | C1 | H1 | 180.0° | 180.0° |
| C5 | C6 | C1 | C | 177.1° | 180.0° |
| C5 | C6 | C1 | C2 | 0.8° | 0.0° |
| C6 | C5 | C4 | C12 | 179.7° | 180.0° |
| C6 | C5 | C4 | C3 | 1.8° | 0.3° |
| C6 | C1 | C | C2 | 177.9° | 179.9° |
| C6 | C1 | C | O | 146.2° | 0.0° |
| C1 | C6 | C5 | C4 | 2.1° | 0.0° |
| C6 | C1 | C2 | C3 | 0.7° | 0.3° |
| C6 | C1 | C2 | H8 | 179.2° | 180.0° |
| C7 | C8 | C9 | C12 | 179.5° | 179.9° |
| C7 | C8 | C12 | C4 | 1.9° | 0.5° |
| C7 | C8 | C9 | C10 | 179.6° | 179.0° |
| C7 | C8 | C12 | C11 | 178.6° | 179.5° |
| C7 | C8 | C9 | H10 | 0.3° | 0.1° |
| C8 | C7 | N3 | H28 | 50.2° | 0.0° |
| C | C1 | C2 | C3 | 178.7° | 179.8° |
| C | C1 | C6 | H1 | 2.9° | 0.0° |
| C | C1 | C2 | H8 | 1.3° | 0.0° |
| C1 | C | N | H29 | 173.7° | 0.0° |
| C1 | C | N | H30 | 6.3° | 180.0° |
| O | C | C1 | C2 | 31.7° | 179.9° |
| O | C | N | H29 | 0.0° | 180.0° |
| O | C | N | H30 | 180.0° | 0.0° |
| C23 | C22 | C21 | C20 | 1.7° | 0.2° |
| C23 | C22 | C21 | O3 | 176.2° | 179.9° |
| C23 | C22 | O3 | C27 | 60.3° | 0.0° |
| C23 | C22 | C21 | H7 | 178.3° | 180.0° |
| C19 | C20 | C21 | C22 | 176.4° | 180.0° |
| C19 | C20 | C21 | H7 | 3.5° | 0.3° |
| C20 | C19 | H18 | H19 | 118.4° | 120.0° |
| C19 | C20 | C25 | H21 | 2.0° | 0.1° |
| C20 | C19 | N4 | H24 | 57.7° | 56.1° |
| C20 | C21 | C22 | H7 | 180.0° | 179.8° |
| C20 | C21 | C22 | O3 | 174.5° | 179.7° |
| C21 | C20 | C19 | H18 | 143.6° | 29.5° |
| C21 | C20 | C19 | H19 | 24.6° | 149.5° |
| C21 | C20 | C25 | H21 | 179.9° | 179.4° |
| C5 | C4 | C12 | C8 | 0.0° | 0.2° |
| C5 | C4 | C12 | C3 | 178.4° | 179.7° |
| C5 | C4 | C3 | C2 | 0.3° | 0.6° |
| C5 | C4 | C12 | C11 | 179.5° | 179.7° |
| C4 | C5 | C6 | H1 | 177.9° | 180.0° |
| C5 | C4 | C3 | H9 | 179.7° | 179.7° |
| C1 | C2 | C3 | C4 | 1.0° | 0.6° |
| C1 | C2 | C3 | H8 | 180.0° | 179.7° |
| C2 | C1 | C6 | H1 | 179.2° | 180.0° |
| C1 | C2 | C3 | H9 | 179.0° | 179.7° |
| C21 | C22 | O3 | C27 | 123.5° | 180.0° |
| C21 | C22 | C23 | H20 | 179.8° | 180.0° |
| C22 | O3 | C27 | F | 96.1° | 180.0° |
| C22 | O3 | C27 | F1 | 25.8° | 60.0° |
| C22 | O3 | C27 | F2 | 146.8° | 60.1° |
| O3 | C22 | C21 | H7 | 5.5° | 0.0° |
| O3 | C22 | C23 | H20 | 4.1° | 0.1° |
| C9 | C8 | C12 | C4 | 177.7° | 179.5° |
| C8 | C9 | C10 | H10 | 180.0° | 178.9° |
| C9 | C8 | C12 | C11 | 1.9° | 0.6° |
| C8 | C9 | C10 | N2 | 0.6° | 1.1° |
| C8 | C9 | C10 | H2 | 179.4° | 179.5° |
| C8 | C12 | C4 | C11 | 179.5° | 179.9° |
| C8 | C12 | C4 | C3 | 178.4° | 180.0° |
| C12 | C8 | C9 | C10 | 0.8° | 1.1° |
| C8 | C12 | C11 | N2 | 1.8° | 0.0° |
| C12 | C8 | C9 | H10 | 179.2° | 180.0° |
| C8 | C12 | C11 | H11 | 178.3° | 179.9° |
| C12 | C4 | C3 | C2 | 178.7° | 179.7° |
| C4 | C12 | C11 | N2 | 177.8° | 180.0° |
| C12 | C4 | C3 | H9 | 1.3° | 0.0° |
| C4 | C12 | C11 | H11 | 2.2° | 0.1° |
| C4 | C3 | C2 | H9 | 180.0° | 179.8° |
| C3 | C4 | C12 | C11 | 2.1° | 0.0° |
| C4 | C3 | C2 | H8 | 179.0° | 179.7° |
| C9 | C10 | N2 | H2 | 180.0° | 179.4° |
| C9 | C10 | N2 | C11 | 0.8° | 0.6° |
| O3 | C27 | F | F1 | 126.0° | 120.0° |
| O3 | C27 | F | F2 | 119.3° | 120.0° |
| O3 | C27 | F1 | F2 | 123.2° | 120.0° |
| C12 | C11 | N2 | C10 | 0.4° | 0.0° |
| C12 | C11 | N2 | H11 | 180.0° | 179.9° |
| F | C27 | F1 | F2 | 115.1° | 120.0° |
| N2 | C10 | C9 | H10 | 179.4° | 180.0° |
| C10 | N2 | C11 | H11 | 179.6° | 179.9° |
| C11 | N2 | C10 | H2 | 179.2° | 180.0° |
| H2 | C10 | C9 | H10 | 0.6° | 0.6° |
| H3 | C15 | C16 | H14 | 170.4° | 60.0° |
| H3 | C15 | C16 | H15 | 70.4° | 179.9° |
| H4 | C15 | C16 | H14 | 50.3° | 180.0° |
| H4 | C15 | C16 | H15 | 169.4° | 60.0° |
| H5 | C17 | C16 | H14 | 171.4° | 180.0° |
| H5 | C17 | C16 | H15 | 69.5° | 60.0° |
| H5 | C17 | C18 | H16 | 179.5° | 180.0° |
| H5 | C17 | C18 | H17 | 61.2° | 60.0° |
| H6 | C17 | C16 | H14 | 52.4° | 60.0° |
| H6 | C17 | C16 | H15 | 171.5° | 180.0° |
| H6 | C17 | C18 | H16 | 60.6° | 60.0° |
| H6 | C17 | C18 | H17 | 179.8° | 180.0° |
| H8 | C2 | C3 | H9 | 1.0° | 0.0° |
| H12 | C14 | C13 | H26 | 173.3° | 65.0° |
| H12 | C14 | C13 | H27 | 67.4° | 175.0° |
| H13 | C14 | C13 | H26 | 66.7° | 55.0° |
| H13 | C14 | C13 | H27 | 52.6° | 65.0° |
| H16 | C18 | N4 | H24 | 174.4° | 176.1° |
| H17 | C18 | N4 | H24 | 55.1° | 63.9° |
| H18 | C19 | N4 | H24 | 178.2° | 64.0° |
| H19 | C19 | N4 | H24 | 62.8° | 176.0° |
| H26 | C13 | N3 | H28 | 69.3° | 120.0° |
| H27 | C13 | N3 | H28 | 171.4° | 120.0° |
