9I9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.23Å | |
| F | C24 | sing | 1.40Å | 1.34Å | |
| C11 | N2 | sing | 1.47Å | 1.45Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C | N2 | sing | 1.35Å | 1.33Å | |
| C | C1 | sing | 1.51Å | 1.51Å | |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C2 | N | sing | 1.46Å | 1.47Å | |
| C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C29 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | N | sing | 1.36Å | 1.37Å | |
| C3 | N1 | doub | 1.30Å | 1.28Å | |
| C19 | C20 | sing | 1.48Å | 1.49Å | |
| C19 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.51Å | 1.50Å | |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C12 | sing | 1.51Å | 1.52Å | |
| C24 | F2 | sing | 1.40Å | 1.35Å | |
| C24 | F1 | sing | 1.40Å | 1.33Å | |
| N | C10 | sing | 1.35Å | 1.39Å | |
| C12 | N3 | sing | 1.46Å | 1.46Å | |
| N1 | C4 | sing | 1.36Å | 1.39Å | |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| N3 | C13 | sing | 1.35Å | 1.34Å | |
| C10 | O1 | doub | 1.22Å | 1.22Å | |
| C10 | C9 | sing | 1.47Å | 1.47Å | |
| C4 | C9 | doub | 1.41Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | O3 | doub | 1.21Å | 1.23Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | N4 | sing | 1.47Å | 1.45Å | |
| C15 | O2 | sing | 1.43Å | 1.43Å | |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | CL | sing | 1.74Å | 1.74Å | |
| C7 | CL1 | sing | 1.74Å | 1.73Å | |
| C22 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C25 | H3 | sing | 1.08Å | 1.08Å | |
| C26 | H4 | sing | 1.08Å | 1.08Å | |
| C18 | H5 | sing | 1.08Å | 1.08Å | |
| C27 | H6 | sing | 1.08Å | 1.08Å | |
| C28 | H7 | sing | 1.08Å | 1.08Å | |
| C29 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| N3 | H10 | sing | 0.97Å | 1.00Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| N4 | H12 | sing | 1.01Å | 1.00Å | |
| N4 | H13 | sing | 1.01Å | 1.00Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| O2 | H19 | sing | 0.97Å | 0.95Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| N2 | H22 | sing | 0.97Å | 1.00Å | |
| C1 | H23 | sing | 1.09Å | 1.10Å | |
| C1 | H24 | sing | 1.09Å | 1.10Å | |
| C2 | H25 | sing | 1.09Å | 1.10Å | |
| C2 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H27 | sing | 1.08Å | 1.08Å | |
| C8 | H28 | sing | 1.08Å | 1.08Å | |
| C5 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | N2 | 122.7° | 120.0° |
| O | C | C1 | 121.9° | 120.0° |
| F | C24 | C23 | 112.6° | 109.5° |
| F | C24 | F2 | 106.3° | 109.4° |
| F | C24 | F1 | 105.8° | 109.5° |
| N2 | C11 | C12 | 109.1° | 109.4° |
| C11 | N2 | C | 123.2° | 120.0° |
| N2 | C11 | H20 | 109.6° | 109.5° |
| N2 | C11 | H21 | 109.6° | 109.5° |
| C11 | N2 | H22 | 118.4° | 120.0° |
| C11 | C12 | C17 | 110.6° | 109.4° |
| C11 | C12 | N3 | 110.8° | 109.5° |
| C11 | C12 | H9 | 107.2° | 109.5° |
| C12 | C11 | H20 | 109.5° | 109.4° |
| C12 | C11 | H21 | 109.6° | 109.5° |
| N2 | C | C1 | 115.4° | 120.0° |
| C | N2 | H22 | 118.4° | 120.1° |
| C | C1 | C2 | 112.8° | 109.5° |
| C | C1 | H23 | 108.6° | 109.5° |
| C | C1 | H24 | 108.6° | 109.5° |
| C25 | C26 | C20 | 121.2° | 119.9° |
| C26 | C25 | C23 | 120.9° | 120.1° |
| C26 | C25 | H3 | 119.6° | 119.9° |
| C25 | C26 | H4 | 119.4° | 120.1° |
| C26 | C20 | C19 | 121.1° | 120.1° |
| C26 | C20 | C21 | 117.5° | 119.8° |
| C20 | C26 | H4 | 119.4° | 120.0° |
| C25 | C23 | C24 | 120.8° | 119.8° |
| C25 | C23 | C22 | 118.3° | 120.3° |
| C23 | C25 | H3 | 119.6° | 119.9° |
| C1 | C2 | N | 112.3° | 109.5° |
| C2 | C1 | H23 | 108.6° | 109.5° |
| C2 | C1 | H24 | 108.7° | 109.5° |
| C1 | C2 | H25 | 108.8° | 109.5° |
| C1 | C2 | H26 | 108.8° | 109.5° |
| C2 | N | C3 | 120.0° | 119.7° |
| C2 | N | C10 | 118.3° | 119.7° |
| N | C2 | H25 | 108.8° | 109.5° |
| N | C2 | H26 | 108.7° | 109.5° |
| C27 | C28 | C29 | 120.1° | 120.1° |
| C28 | C27 | C19 | 120.6° | 119.9° |
| C28 | C27 | H6 | 119.7° | 120.0° |
| C27 | C28 | H7 | 120.0° | 119.9° |
| C28 | C29 | C17 | 120.6° | 120.3° |
| C29 | C28 | H7 | 119.9° | 120.0° |
| C28 | C29 | H8 | 119.7° | 119.9° |
| C27 | C19 | C20 | 121.0° | 120.1° |
| C27 | C19 | C18 | 118.4° | 119.7° |
| C19 | C27 | H6 | 119.7° | 120.1° |
| C29 | C17 | C18 | 119.1° | 120.1° |
| C29 | C17 | C12 | 120.7° | 120.0° |
| C17 | C29 | H8 | 119.7° | 119.8° |
| N | C3 | N1 | 126.3° | 123.4° |
| C3 | N | C10 | 121.7° | 120.6° |
| N | C3 | H27 | 116.9° | 118.3° |
| C3 | N1 | C4 | 116.5° | 121.6° |
| N1 | C3 | H27 | 116.9° | 118.3° |
| C20 | C19 | C18 | 120.5° | 120.1° |
| C19 | C20 | C21 | 121.3° | 120.1° |
| C19 | C18 | C17 | 121.2° | 119.9° |
| C19 | C18 | H5 | 119.4° | 120.1° |
| C20 | C21 | C22 | 121.3° | 119.8° |
| C20 | C21 | H2 | 119.4° | 120.1° |
| C24 | C23 | C22 | 121.0° | 119.9° |
| C23 | C24 | F2 | 113.1° | 109.5° |
| C23 | C24 | F1 | 112.2° | 109.5° |
| C23 | C22 | C21 | 120.9° | 120.1° |
| C23 | C22 | H1 | 119.6° | 120.0° |
| C18 | C17 | C12 | 120.2° | 119.9° |
| C17 | C18 | H5 | 119.4° | 120.0° |
| C17 | C12 | N3 | 112.5° | 109.5° |
| C17 | C12 | H9 | 107.4° | 109.5° |
| F2 | C24 | F1 | 106.4° | 109.5° |
| N | C10 | O1 | 121.3° | 121.3° |
| N | C10 | C9 | 113.9° | 117.4° |
| C12 | N3 | C13 | 123.0° | 120.0° |
| N3 | C12 | H9 | 108.1° | 109.5° |
| C12 | N3 | H10 | 118.5° | 120.0° |
| N1 | C4 | C9 | 122.2° | 119.0° |
| N1 | C4 | C5 | 118.3° | 121.6° |
| C21 | C22 | H1 | 119.6° | 119.9° |
| C22 | C21 | H2 | 119.4° | 120.0° |
| N3 | C13 | O3 | 123.1° | 120.0° |
| N3 | C13 | C14 | 116.2° | 120.0° |
| C13 | N3 | H10 | 118.5° | 120.0° |
| O1 | C10 | C9 | 124.8° | 121.3° |
| C10 | C9 | C4 | 119.5° | 118.0° |
| C10 | C9 | C8 | 120.1° | 122.0° |
| C9 | C4 | C5 | 119.5° | 119.4° |
| C4 | C9 | C8 | 120.4° | 120.0° |
| C4 | C5 | C6 | 119.6° | 119.7° |
| C4 | C5 | H29 | 120.2° | 120.2° |
| C9 | C8 | C7 | 119.5° | 119.6° |
| C9 | C8 | H28 | 120.3° | 120.2° |
| O3 | C13 | C14 | 120.7° | 119.9° |
| C13 | C14 | C15 | 110.8° | 109.5° |
| C13 | C14 | N4 | 109.2° | 109.5° |
| C13 | C14 | H11 | 108.9° | 109.4° |
| C16 | C15 | C14 | 112.7° | 109.5° |
| C16 | C15 | O2 | 110.1° | 109.5° |
| C16 | C15 | H15 | 108.2° | 109.5° |
| C15 | C16 | H16 | 109.5° | 109.5° |
| C15 | C16 | H17 | 109.5° | 109.5° |
| C15 | C16 | H18 | 109.4° | 109.5° |
| C5 | C6 | C7 | 120.5° | 120.8° |
| C5 | C6 | CL | 118.7° | 119.6° |
| C6 | C5 | H29 | 120.2° | 120.1° |
| C15 | C14 | N4 | 109.2° | 109.5° |
| C14 | C15 | O2 | 108.4° | 109.4° |
| C15 | C14 | H11 | 108.8° | 109.4° |
| C14 | C15 | H15 | 107.9° | 109.5° |
| N4 | C14 | H11 | 109.9° | 109.5° |
| C14 | N4 | H12 | 109.5° | 111.0° |
| C14 | N4 | H13 | 109.5° | 111.0° |
| O2 | C15 | H15 | 109.3° | 109.5° |
| C15 | O2 | H19 | 109.5° | 114.0° |
| C8 | C7 | C6 | 120.5° | 120.5° |
| C8 | C7 | CL1 | 118.5° | 119.8° |
| C7 | C8 | H28 | 120.3° | 120.2° |
| C7 | C6 | CL | 120.8° | 119.6° |
| C6 | C7 | CL1 | 121.0° | 119.7° |
| H12 | N4 | H13 | 109.4° | 111.0° |
| H16 | C16 | H17 | 109.5° | 109.5° |
| H16 | C16 | H18 | 109.5° | 109.4° |
| H17 | C16 | H18 | 109.5° | 109.4° |
| H20 | C11 | H21 | 109.5° | 109.5° |
| H23 | C1 | H24 | 109.5° | 109.4° |
| H25 | C2 | H26 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | N2 | C11 | 7.1° | 0.0° |
| O | C | N2 | C1 | 179.3° | 180.0° |
| O | C | C1 | C2 | 4.1° | 0.0° |
| O | C | N2 | H22 | 172.9° | 180.0° |
| O | C | C1 | H23 | 116.4° | 120.0° |
| O | C | C1 | H24 | 124.6° | 120.0° |
| F | C24 | C23 | C25 | 29.6° | 149.7° |
| F | C24 | C23 | F2 | 120.4° | 119.9° |
| F | C24 | C23 | F1 | 119.3° | 120.0° |
| F | C24 | C23 | C22 | 150.0° | 30.0° |
| F | C24 | F2 | F1 | 112.5° | 120.0° |
| N2 | C11 | C12 | H20 | 120.0° | 120.0° |
| N2 | C11 | C12 | H21 | 120.0° | 120.0° |
| C11 | N2 | C | H22 | 180.0° | 180.0° |
| C11 | N2 | C | C1 | 173.7° | 180.0° |
| N2 | C11 | C12 | C17 | 169.8° | 175.0° |
| N2 | C11 | C12 | N3 | 64.7° | 55.0° |
| N2 | C11 | C12 | H9 | 53.0° | 65.0° |
| N2 | C11 | H20 | H21 | 120.2° | 120.1° |
| C12 | C11 | N2 | C | 97.6° | 180.0° |
| C11 | C12 | C17 | C29 | 78.1° | 74.3° |
| C11 | C12 | C17 | C18 | 99.7° | 105.4° |
| C11 | C12 | C17 | N3 | 124.5° | 120.0° |
| C11 | C12 | C17 | H9 | 116.7° | 120.0° |
| C11 | C12 | N3 | H9 | 117.2° | 120.0° |
| C11 | C12 | N3 | C13 | 157.5° | 153.6° |
| C11 | C12 | N3 | H10 | 22.5° | 26.4° |
| C12 | C11 | H20 | H21 | 120.1° | 120.0° |
| C12 | C11 | N2 | H22 | 82.4° | 0.0° |
| N2 | C | C1 | C2 | 175.2° | 180.0° |
| C | N2 | C11 | H20 | 22.4° | 60.1° |
| C | N2 | C11 | H21 | 142.5° | 60.0° |
| N2 | C | C1 | H23 | 64.3° | 60.0° |
| N2 | C | C1 | H24 | 54.7° | 60.0° |
| C | C1 | C2 | H23 | 120.5° | 120.0° |
| C | C1 | C2 | H24 | 120.5° | 120.0° |
| C | C1 | C2 | N | 73.2° | 180.0° |
| C1 | C | N2 | H22 | 6.3° | 0.0° |
| C | C1 | H23 | H24 | 118.4° | 120.0° |
| C | C1 | C2 | H25 | 166.4° | 60.0° |
| C | C1 | C2 | H26 | 47.2° | 60.0° |
| C25 | C26 | C20 | H4 | 180.0° | 179.9° |
| C26 | C25 | C23 | H3 | 180.0° | 180.0° |
| C25 | C26 | C20 | C19 | 178.0° | 180.0° |
| C25 | C26 | C20 | C21 | 0.5° | 0.4° |
| C26 | C25 | C23 | C24 | 179.0° | 180.0° |
| C26 | C25 | C23 | C22 | 0.6° | 0.3° |
| C20 | C26 | C25 | C23 | 0.2° | 0.1° |
| C26 | C20 | C19 | C27 | 29.3° | 0.3° |
| C26 | C20 | C19 | C21 | 178.5° | 179.6° |
| C26 | C20 | C19 | C18 | 149.6° | 179.9° |
| C26 | C20 | C21 | C22 | 0.8° | 0.4° |
| C26 | C20 | C21 | H2 | 179.1° | 179.7° |
| C20 | C26 | C25 | H3 | 179.8° | 179.9° |
| C25 | C23 | C24 | C22 | 179.6° | 179.7° |
| C25 | C23 | C24 | F2 | 150.0° | 90.3° |
| C25 | C23 | C24 | F1 | 89.7° | 29.7° |
| C25 | C23 | C22 | C21 | 0.3° | 0.3° |
| C25 | C23 | C22 | H1 | 179.6° | 179.7° |
| C23 | C25 | C26 | H4 | 179.8° | 180.0° |
| C1 | C2 | N | H25 | 120.4° | 120.0° |
| C1 | C2 | N | H26 | 120.4° | 120.0° |
| C1 | C2 | N | C3 | 103.6° | 90.3° |
| C1 | C2 | N | C10 | 74.7° | 90.0° |
| C2 | C1 | H23 | H24 | 118.5° | 120.0° |
| C1 | C2 | H25 | H26 | 118.7° | 120.0° |
| C2 | N | C3 | C10 | 178.3° | 179.7° |
| C2 | N | C3 | N1 | 177.1° | 179.7° |
| C2 | N | C10 | O1 | 3.4° | 0.0° |
| C2 | N | C10 | C9 | 177.2° | 180.0° |
| N | C2 | C1 | H23 | 47.3° | 60.0° |
| N | C2 | C1 | H24 | 166.3° | 60.0° |
| N | C2 | H25 | H26 | 118.7° | 120.0° |
| C2 | N | C3 | H27 | 2.9° | 0.0° |
| C27 | C28 | C29 | H7 | 180.0° | 179.9° |
| C28 | C27 | C19 | H6 | 180.0° | 180.0° |
| C27 | C28 | C29 | C17 | 0.6° | 0.4° |
| C28 | C27 | C19 | C20 | 178.6° | 180.0° |
| C28 | C27 | C19 | C18 | 0.3° | 0.3° |
| C27 | C28 | C29 | H8 | 179.4° | 179.9° |
| C29 | C28 | C27 | C19 | 0.6° | 0.0° |
| C28 | C29 | C17 | H8 | 180.0° | 179.6° |
| C28 | C29 | C17 | C18 | 0.4° | 0.3° |
| C28 | C29 | C17 | C12 | 177.5° | 180.0° |
| C29 | C28 | C27 | H6 | 179.4° | 180.0° |
| C27 | C19 | C20 | C18 | 178.9° | 179.7° |
| C27 | C19 | C20 | C21 | 152.2° | 179.4° |
| C27 | C19 | C18 | C17 | 0.1° | 0.4° |
| C27 | C19 | C18 | H5 | 179.9° | 179.8° |
| C19 | C27 | C28 | H7 | 179.4° | 180.0° |
| C29 | C17 | C18 | C19 | 0.2° | 0.0° |
| C29 | C17 | C18 | C12 | 177.9° | 179.7° |
| C29 | C17 | C12 | N3 | 46.4° | 45.7° |
| C29 | C17 | C18 | H5 | 179.9° | 179.9° |
| C17 | C29 | C28 | H7 | 179.4° | 179.7° |
| C29 | C17 | C12 | H9 | 165.2° | 165.7° |
| N | C3 | N1 | H27 | 180.0° | 179.6° |
| N | C3 | N1 | C4 | 0.4° | 0.6° |
| C3 | N | C10 | O1 | 178.2° | 179.7° |
| C3 | N | C10 | C9 | 1.2° | 0.3° |
| C3 | N | C2 | H25 | 136.0° | 149.7° |
| C3 | N | C2 | H26 | 16.8° | 29.7° |
| N1 | C3 | N | C10 | 1.2° | 0.6° |
| C3 | N1 | C4 | C9 | 0.3° | 0.3° |
| C3 | N1 | C4 | C5 | 179.7° | 179.8° |
| C20 | C19 | C18 | C17 | 178.8° | 180.0° |
| C19 | C20 | C21 | C22 | 177.7° | 180.0° |
| C19 | C20 | C21 | H2 | 2.4° | 0.1° |
| C19 | C20 | C26 | H4 | 2.0° | 0.0° |
| C20 | C19 | C18 | H5 | 1.2° | 0.1° |
| C20 | C19 | C27 | H6 | 1.4° | 0.0° |
| C18 | C19 | C20 | C21 | 28.9° | 0.3° |
| C19 | C18 | C17 | H5 | 180.0° | 179.9° |
| C19 | C18 | C17 | C12 | 177.7° | 179.7° |
| C18 | C19 | C27 | H6 | 179.7° | 179.7° |
| C20 | C21 | C22 | C23 | 0.4° | 0.1° |
| C20 | C21 | C22 | H2 | 180.0° | 179.9° |
| C20 | C21 | C22 | H1 | 179.6° | 180.0° |
| C21 | C20 | C26 | H4 | 179.4° | 179.7° |
| C23 | C24 | F2 | F1 | 123.6° | 120.1° |
| C24 | C23 | C22 | C21 | 179.3° | 180.0° |
| C24 | C23 | C22 | H1 | 0.8° | 0.0° |
| C24 | C23 | C25 | H3 | 1.0° | 0.1° |
| C22 | C23 | C24 | F2 | 29.6° | 90.0° |
| C22 | C23 | C24 | F1 | 90.7° | 150.0° |
| C23 | C22 | C21 | H1 | 180.0° | 180.0° |
| C23 | C22 | C21 | H2 | 179.6° | 180.0° |
| C22 | C23 | C25 | H3 | 179.4° | 179.8° |
| C18 | C17 | C12 | N3 | 135.8° | 134.6° |
| C18 | C17 | C29 | H8 | 179.6° | 179.9° |
| C18 | C17 | C12 | H9 | 17.0° | 14.6° |
| C17 | C12 | N3 | H9 | 118.4° | 120.0° |
| C17 | C12 | N3 | C13 | 78.1° | 86.4° |
| C12 | C17 | C18 | H5 | 2.3° | 0.2° |
| C12 | C17 | C29 | H8 | 2.6° | 0.4° |
| C17 | C12 | N3 | H10 | 101.9° | 93.6° |
| C17 | C12 | C11 | H20 | 49.8° | 55.0° |
| C17 | C12 | C11 | H21 | 70.3° | 65.0° |
| N | C10 | O1 | C9 | 179.3° | 180.0° |
| N | C10 | C9 | C4 | 0.5° | 0.0° |
| N | C10 | C9 | C8 | 179.0° | 180.0° |
| C10 | N | C2 | H25 | 45.7° | 30.0° |
| C10 | N | C2 | H26 | 164.9° | 150.0° |
| C10 | N | C3 | H27 | 178.8° | 179.7° |
| C12 | N3 | C13 | H10 | 180.0° | 180.0° |
| C12 | N3 | C13 | O3 | 5.2° | 5.0° |
| C12 | N3 | C13 | C14 | 174.9° | 175.0° |
| N3 | C12 | C11 | H20 | 175.3° | 64.9° |
| N3 | C12 | C11 | H21 | 55.2° | 175.0° |
| N1 | C4 | C9 | C10 | 0.2° | 0.0° |
| N1 | C4 | C9 | C5 | 180.0° | 179.9° |
| N1 | C4 | C9 | C8 | 179.7° | 180.0° |
| N1 | C4 | C5 | C6 | 180.0° | 180.0° |
| C4 | N1 | C3 | H27 | 179.6° | 179.7° |
| N1 | C4 | C5 | H29 | 0.0° | 0.1° |
| N3 | C13 | O3 | C14 | 179.9° | 180.0° |
| N3 | C13 | C14 | C15 | 104.3° | 80.0° |
| N3 | C13 | C14 | N4 | 135.4° | 160.0° |
| C13 | N3 | C12 | H9 | 40.3° | 33.6° |
| N3 | C13 | C14 | H11 | 15.4° | 39.9° |
| O1 | C10 | C9 | C4 | 178.9° | 180.0° |
| O1 | C10 | C9 | C8 | 1.6° | 0.0° |
| C10 | C9 | C4 | C8 | 179.5° | 180.0° |
| C10 | C9 | C4 | C5 | 179.8° | 179.9° |
| C10 | C9 | C8 | C7 | 179.6° | 180.0° |
| C10 | C9 | C8 | H28 | 0.4° | 0.1° |
| C9 | C4 | C5 | C6 | 0.1° | 0.1° |
| C4 | C9 | C8 | C7 | 0.1° | 0.0° |
| C4 | C9 | C8 | H28 | 179.9° | 179.9° |
| C9 | C4 | C5 | H29 | 179.9° | 180.0° |
| C5 | C4 | C9 | C8 | 0.2° | 0.1° |
| C4 | C5 | C6 | H29 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.5° | 0.0° |
| C4 | C5 | C6 | CL | 178.1° | 179.9° |
| C9 | C8 | C7 | H28 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 0.3° | 0.0° |
| C9 | C8 | C7 | CL1 | 179.4° | 180.0° |
| O3 | C13 | C14 | C15 | 75.6° | 100.0° |
| O3 | C13 | C14 | N4 | 44.7° | 20.0° |
| O3 | C13 | N3 | H10 | 174.8° | 175.0° |
| O3 | C13 | C14 | H11 | 164.7° | 140.0° |
| C13 | C14 | C15 | C16 | 74.0° | 175.0° |
| C13 | C14 | C15 | N4 | 120.3° | 120.1° |
| C13 | C14 | C15 | H11 | 119.7° | 119.9° |
| C13 | C14 | N4 | H11 | 119.4° | 120.0° |
| C13 | C14 | C15 | O2 | 163.8° | 55.1° |
| C14 | C13 | N3 | H10 | 5.1° | 5.0° |
| C13 | C14 | N4 | H12 | 180.0° | 60.0° |
| C13 | C14 | N4 | H13 | 60.0° | 176.0° |
| C13 | C14 | C15 | H15 | 45.5° | 64.9° |
| C16 | C15 | C14 | O2 | 122.2° | 120.0° |
| C16 | C15 | C14 | H15 | 119.5° | 120.0° |
| C16 | C15 | C14 | N4 | 165.7° | 55.0° |
| C16 | C15 | O2 | H15 | 118.8° | 120.1° |
| C16 | C15 | C14 | H11 | 45.7° | 65.1° |
| C15 | C16 | H16 | H17 | 120.0° | 120.1° |
| C15 | C16 | H16 | H18 | 120.0° | 120.0° |
| C15 | C16 | H17 | H18 | 120.0° | 120.0° |
| C16 | C15 | O2 | H19 | 180.0° | 60.0° |
| C5 | C6 | C7 | C8 | 0.7° | 0.0° |
| C5 | C6 | C7 | CL | 178.6° | 179.9° |
| C5 | C6 | C7 | CL1 | 179.1° | 180.0° |
| C15 | C14 | N4 | H11 | 119.3° | 120.0° |
| C14 | C15 | O2 | H15 | 117.5° | 120.0° |
| C15 | C14 | N4 | H12 | 58.8° | 60.0° |
| C15 | C14 | N4 | H13 | 178.8° | 63.9° |
| C14 | C15 | C16 | H16 | 180.0° | 59.9° |
| C14 | C15 | C16 | H17 | 60.0° | 180.0° |
| C14 | C15 | C16 | H18 | 60.0° | 60.1° |
| C14 | C15 | O2 | H19 | 56.2° | 60.0° |
| N4 | C14 | C15 | O2 | 43.6° | 65.0° |
| C14 | N4 | H12 | H13 | 120.0° | 123.9° |
| N4 | C14 | C15 | H15 | 74.8° | 175.0° |
| O2 | C15 | C14 | H11 | 76.4° | 175.0° |
| O2 | C15 | C16 | H16 | 58.8° | 60.0° |
| O2 | C15 | C16 | H17 | 178.8° | 60.0° |
| O2 | C15 | C16 | H18 | 61.2° | 180.0° |
| C8 | C7 | C6 | CL1 | 179.7° | 180.0° |
| C8 | C7 | C6 | CL | 178.0° | 179.9° |
| C6 | C7 | C8 | H28 | 179.7° | 179.9° |
| C7 | C6 | C5 | H29 | 179.5° | 180.0° |
| CL | C6 | C7 | CL1 | 2.3° | 0.1° |
| CL | C6 | C5 | H29 | 1.9° | 0.0° |
| CL1 | C7 | C8 | H28 | 0.6° | 0.1° |
| H1 | C22 | C21 | H2 | 0.4° | 0.0° |
| H3 | C25 | C26 | H4 | 0.2° | 0.0° |
| H6 | C27 | C28 | H7 | 0.6° | 0.0° |
| H7 | C28 | C29 | H8 | 0.6° | 0.1° |
| H9 | C12 | N3 | H10 | 139.6° | 146.4° |
| H9 | C12 | C11 | H20 | 67.0° | 175.0° |
| H9 | C12 | C11 | H21 | 172.9° | 54.9° |
| H11 | C14 | N4 | H12 | 60.5° | 180.0° |
| H11 | C14 | N4 | H13 | 59.5° | 56.1° |
| H11 | C14 | C15 | H15 | 165.2° | 55.0° |
| H15 | C15 | C16 | H16 | 60.7° | 179.9° |
| H15 | C15 | C16 | H17 | 59.3° | 60.0° |
| H15 | C15 | C16 | H18 | 179.3° | 60.0° |
| H15 | C15 | O2 | H19 | 61.2° | 180.0° |
| H16 | C16 | H17 | H18 | 120.0° | 119.9° |
| H20 | C11 | N2 | H22 | 157.6° | 120.0° |
| H21 | C11 | N2 | H22 | 37.5° | 120.0° |
| H23 | C1 | C2 | H25 | 73.1° | NaN° |
| H23 | C1 | C2 | H26 | 167.7° | 60.1° |
| H24 | C1 | C2 | H25 | 45.9° | 60.1° |
| H24 | C1 | C2 | H26 | 73.3° | 180.0° |
