4A9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F3 | C11 | sing | 1.40Å | 1.34Å | |
| F2 | C11 | sing | 1.40Å | 1.34Å | |
| C11 | F1 | sing | 1.40Å | 1.33Å | |
| C11 | C10 | sing | 1.51Å | 1.52Å | |
| C10 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.48Å | 1.50Å | |
| C7 | N2 | sing | 1.35Å | 1.41Å | |
| C7 | O2 | doub | 1.22Å | 1.22Å | |
| N2 | C6 | sing | 1.40Å | 1.43Å | |
| C6 | C15 | doub | 1.39Å | 1.42Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | N1 | sing | 1.40Å | 1.40Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | N3 | sing | 1.31Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.37Å | 1.38Å | Aromatic |
| N1 | C1 | sing | 1.35Å | 1.40Å | |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | C18 | doub | 1.30Å | 1.36Å | Aromatic |
| C1 | C16 | sing | 1.46Å | 1.46Å | |
| C1 | O1 | doub | 1.22Å | 1.22Å | |
| C16 | S | sing | 1.76Å | 1.67Å | Aromatic |
| C18 | N4 | sing | 1.38Å | 1.41Å | |
| C18 | S | sing | 1.71Å | 1.73Å | Aromatic |
| N4 | C19 | sing | 1.39Å | 1.41Å | |
| C19 | C29 | doub | 1.39Å | 1.42Å | Aromatic |
| C19 | N5 | sing | 1.33Å | 1.40Å | Aromatic |
| C29 | C22 | sing | 1.39Å | 1.42Å | Aromatic |
| N5 | C20 | doub | 1.32Å | 1.37Å | Aromatic |
| C28 | N7 | sing | 1.47Å | 1.47Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C22 | N7 | sing | 1.39Å | 1.42Å | |
| C22 | N6 | doub | 1.33Å | 1.39Å | Aromatic |
| C20 | N6 | sing | 1.32Å | 1.37Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.50Å | |
| N7 | C23 | sing | 1.47Å | 1.47Å | |
| C27 | N8 | sing | 1.47Å | 1.50Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| N8 | C24 | sing | 1.47Å | 1.50Å | |
| N8 | C25 | sing | 1.47Å | 1.51Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | O3 | sing | 1.43Å | 1.42Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| N4 | H13 | sing | 0.97Å | 1.00Å | |
| C29 | H30 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| O3 | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F3 | C11 | F2 | 105.5° | 109.5° |
| F3 | C11 | F1 | 103.8° | 109.5° |
| F3 | C11 | C10 | 114.2° | 109.5° |
| F2 | C11 | F1 | 105.4° | 109.5° |
| F2 | C11 | C10 | 112.6° | 109.5° |
| F1 | C11 | C10 | 114.4° | 109.5° |
| C11 | C10 | C12 | 117.8° | 119.9° |
| C11 | C10 | C9 | 120.8° | 120.0° |
| C12 | C10 | C9 | 121.3° | 120.1° |
| C10 | C12 | C13 | 119.3° | 120.3° |
| C10 | C12 | H8 | 120.3° | 119.9° |
| C10 | C9 | C8 | 118.4° | 119.9° |
| C10 | C9 | H7 | 120.8° | 120.0° |
| C12 | C13 | C14 | 120.0° | 120.2° |
| C12 | C13 | H9 | 120.0° | 119.9° |
| C13 | C12 | H8 | 120.4° | 119.9° |
| C9 | C8 | C14 | 120.6° | 119.7° |
| C9 | C8 | C7 | 118.9° | 120.1° |
| C8 | C9 | H7 | 120.8° | 120.1° |
| C13 | C14 | C8 | 120.3° | 119.9° |
| C13 | C14 | H10 | 119.9° | 120.0° |
| C14 | C13 | H9 | 120.0° | 120.0° |
| C14 | C8 | C7 | 120.5° | 120.1° |
| C8 | C14 | H10 | 119.8° | 120.1° |
| C8 | C7 | N2 | 114.2° | 120.0° |
| C8 | C7 | O2 | 121.1° | 120.0° |
| N2 | C7 | O2 | 124.7° | 120.0° |
| C7 | N2 | C6 | 128.5° | 120.0° |
| C7 | N2 | H6 | 115.7° | 120.0° |
| N2 | C6 | C15 | 119.7° | 120.0° |
| N2 | C6 | C5 | 121.5° | 120.1° |
| C6 | N2 | H6 | 115.8° | 120.0° |
| C15 | C6 | C5 | 118.9° | 119.9° |
| C6 | C15 | C2 | 119.3° | 119.9° |
| C6 | C15 | H11 | 120.3° | 120.1° |
| C6 | C5 | C4 | 119.7° | 120.1° |
| C6 | C5 | H5 | 120.2° | 119.9° |
| C15 | C2 | N1 | 117.6° | 120.0° |
| C15 | C2 | C3 | 121.6° | 120.0° |
| C2 | C15 | H11 | 120.3° | 120.1° |
| C5 | C4 | C3 | 122.4° | 120.1° |
| C4 | C5 | H5 | 120.2° | 120.0° |
| C5 | C4 | H4 | 118.8° | 119.9° |
| N1 | C2 | C3 | 120.8° | 120.0° |
| C2 | N1 | C1 | 123.5° | 120.0° |
| C2 | N1 | H2 | 118.2° | 120.0° |
| C2 | C3 | C4 | 118.2° | 120.1° |
| C2 | C3 | H3 | 120.9° | 120.0° |
| N3 | C17 | C16 | 114.2° | 114.0° |
| C17 | N3 | C18 | 108.2° | 117.3° |
| N3 | C17 | H12 | 122.9° | 123.0° |
| C17 | C16 | C1 | 126.0° | 126.1° |
| C17 | C16 | S | 112.8° | 107.8° |
| C16 | C17 | H12 | 122.9° | 122.9° |
| N1 | C1 | C16 | 114.0° | 120.0° |
| N1 | C1 | O1 | 123.7° | 120.0° |
| C1 | N1 | H2 | 118.3° | 120.0° |
| C3 | C4 | H4 | 118.8° | 119.9° |
| C4 | C3 | H3 | 120.9° | 120.0° |
| N3 | C18 | N4 | 118.9° | 124.8° |
| N3 | C18 | S | 115.7° | 110.5° |
| C16 | C1 | O1 | 122.2° | 120.0° |
| C1 | C16 | S | 121.1° | 126.1° |
| C16 | S | C18 | 89.0° | 90.4° |
| N4 | C18 | S | 125.4° | 124.7° |
| C18 | N4 | C19 | 125.9° | 120.0° |
| C18 | N4 | H13 | 117.1° | 120.0° |
| N4 | C19 | C29 | 118.5° | 120.5° |
| N4 | C19 | N5 | 119.5° | 120.5° |
| C19 | N4 | H13 | 117.1° | 120.0° |
| C29 | C19 | N5 | 121.8° | 119.0° |
| C19 | C29 | C22 | 116.1° | 118.2° |
| C19 | C29 | H30 | 122.0° | 120.9° |
| C19 | N5 | C20 | 117.0° | 120.9° |
| C29 | C22 | N7 | 123.0° | 120.5° |
| C29 | C22 | N6 | 123.0° | 119.0° |
| C22 | C29 | H30 | 122.0° | 120.8° |
| N5 | C20 | N6 | 125.8° | 121.9° |
| N5 | C20 | C21 | 118.4° | 119.0° |
| N7 | C28 | C27 | 105.5° | 109.4° |
| C28 | N7 | C22 | 124.1° | 111.0° |
| C28 | N7 | C23 | 110.7° | 110.9° |
| N7 | C28 | H29 | 110.5° | 109.5° |
| N7 | C28 | H28 | 110.5° | 109.5° |
| C28 | C27 | N8 | 108.8° | 109.3° |
| C27 | C28 | H29 | 110.5° | 109.5° |
| C27 | C28 | H28 | 110.4° | 109.5° |
| C28 | C27 | H27 | 109.6° | 109.5° |
| C28 | C27 | H26 | 109.7° | 109.5° |
| N7 | C22 | N6 | 114.0° | 120.5° |
| C22 | N7 | C23 | 125.2° | 111.0° |
| C22 | N6 | C20 | 116.3° | 120.9° |
| N6 | C20 | C21 | 115.9° | 119.0° |
| C20 | C21 | H15 | 109.5° | 109.4° |
| C20 | C21 | H16 | 109.4° | 109.5° |
| C20 | C21 | H14 | 109.5° | 109.4° |
| N7 | C23 | C24 | 107.5° | 109.4° |
| N7 | C23 | H18 | 110.0° | 109.5° |
| N7 | C23 | H17 | 109.9° | 109.5° |
| C27 | N8 | C24 | 110.1° | 110.9° |
| C27 | N8 | C25 | 114.1° | 111.0° |
| N8 | C27 | H27 | 109.7° | 109.5° |
| N8 | C27 | H26 | 109.6° | 109.5° |
| C23 | C24 | N8 | 109.0° | 109.4° |
| C23 | C24 | H19 | 109.6° | 109.4° |
| C23 | C24 | H20 | 109.6° | 109.5° |
| C24 | C23 | H18 | 109.9° | 109.5° |
| C24 | C23 | H17 | 110.0° | 109.5° |
| C24 | N8 | C25 | 113.3° | 111.0° |
| N8 | C24 | H19 | 109.6° | 109.5° |
| N8 | C24 | H20 | 109.6° | 109.5° |
| N8 | C25 | C26 | 114.2° | 109.5° |
| N8 | C25 | H22 | 108.3° | 109.5° |
| N8 | C25 | H21 | 108.3° | 109.5° |
| C25 | C26 | O3 | 110.9° | 109.5° |
| C26 | C25 | H22 | 108.3° | 109.5° |
| C26 | C25 | H21 | 108.3° | 109.5° |
| C25 | C26 | H23 | 109.1° | 109.4° |
| C25 | C26 | H24 | 109.1° | 109.4° |
| O3 | C26 | H23 | 109.1° | 109.5° |
| O3 | C26 | H24 | 109.1° | 109.5° |
| C26 | O3 | H25 | 109.5° | 114.0° |
| H15 | C21 | H16 | 109.5° | 109.5° |
| H15 | C21 | H14 | 109.5° | 109.4° |
| H16 | C21 | H14 | 109.5° | 109.5° |
| H29 | C28 | H28 | 109.5° | 109.5° |
| H27 | C27 | H26 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.5° | 109.5° |
| H18 | C23 | H17 | 109.5° | 109.5° |
| H22 | C25 | H21 | 109.5° | 109.5° |
| H23 | C26 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F3 | C11 | F2 | F1 | 109.5° | 120.0° |
| F3 | C11 | F2 | C10 | 125.1° | 120.0° |
| F3 | C11 | F1 | C10 | 125.1° | 120.0° |
| F3 | C11 | C10 | C12 | 20.7° | 120.0° |
| F3 | C11 | C10 | C9 | 162.7° | 59.7° |
| F2 | C11 | F1 | C10 | 124.2° | 120.0° |
| F2 | C11 | C10 | C12 | 140.9° | 120.0° |
| F2 | C11 | C10 | C9 | 42.4° | 60.2° |
| F1 | C11 | C10 | C12 | 98.8° | 0.0° |
| F1 | C11 | C10 | C9 | 77.8° | 179.7° |
| C11 | C10 | C12 | C9 | 176.6° | 179.7° |
| C11 | C10 | C12 | C13 | 175.4° | 180.0° |
| C11 | C10 | C9 | C8 | 174.3° | 179.8° |
| C11 | C10 | C12 | H8 | 4.6° | 0.0° |
| C11 | C10 | C9 | H7 | 5.7° | 0.3° |
| C10 | C12 | C13 | H8 | 180.0° | 180.0° |
| C12 | C10 | C9 | C8 | 2.3° | 0.5° |
| C10 | C12 | C13 | C14 | 1.3° | 0.1° |
| C10 | C12 | C13 | H9 | 178.7° | 180.0° |
| C12 | C10 | C9 | H7 | 177.7° | 180.0° |
| C9 | C10 | C12 | C13 | 1.3° | 0.3° |
| C10 | C9 | C8 | H7 | 180.0° | 179.5° |
| C10 | C9 | C8 | C14 | 0.8° | 0.5° |
| C10 | C9 | C8 | C7 | 178.4° | 179.8° |
| C9 | C10 | C12 | H8 | 178.7° | 179.7° |
| C12 | C13 | C14 | H9 | 180.0° | 179.9° |
| C12 | C13 | C14 | C8 | 2.8° | 0.1° |
| C12 | C13 | C14 | H10 | 177.2° | 180.0° |
| C9 | C8 | C14 | C13 | 1.7° | 0.2° |
| C9 | C8 | C14 | C7 | 179.1° | 179.8° |
| C9 | C8 | C7 | N2 | 119.4° | 179.8° |
| C9 | C8 | C7 | O2 | 60.9° | 0.5° |
| C9 | C8 | C14 | H10 | 178.2° | 179.8° |
| C13 | C14 | C8 | H10 | 180.0° | 179.9° |
| C13 | C14 | C8 | C7 | 179.1° | 180.0° |
| C14 | C13 | C12 | H8 | 178.7° | 179.9° |
| C14 | C8 | C7 | N2 | 61.5° | 0.0° |
| C14 | C8 | C7 | O2 | 118.3° | 179.7° |
| C8 | C14 | C13 | H9 | 177.2° | 180.0° |
| C14 | C8 | C9 | H7 | 179.2° | 180.0° |
| C8 | C7 | N2 | O2 | 179.7° | 179.7° |
| C8 | C7 | N2 | C6 | 179.7° | 174.4° |
| C7 | C8 | C14 | H10 | 0.9° | 0.0° |
| C7 | C8 | C9 | H7 | 1.6° | 0.2° |
| C8 | C7 | N2 | H6 | 0.3° | 5.6° |
| C7 | N2 | C6 | H6 | 180.0° | 180.0° |
| C7 | N2 | C6 | C15 | 31.1° | 35.4° |
| C7 | N2 | C6 | C5 | 150.9° | 144.4° |
| O2 | C7 | N2 | C6 | 0.6° | 5.4° |
| O2 | C7 | N2 | H6 | 179.5° | 174.7° |
| N2 | C6 | C15 | C5 | 178.1° | 179.8° |
| N2 | C6 | C15 | C2 | 178.3° | 179.7° |
| N2 | C6 | C5 | C4 | 177.9° | 180.0° |
| N2 | C6 | C5 | H5 | 2.1° | 0.1° |
| N2 | C6 | C15 | H11 | 1.7° | 0.1° |
| C6 | C15 | C2 | H11 | 180.0° | 179.8° |
| C15 | C6 | C5 | C4 | 0.1° | 0.1° |
| C6 | C15 | C2 | N1 | 180.0° | 180.0° |
| C6 | C15 | C2 | C3 | 0.3° | 0.5° |
| C15 | C6 | N2 | H6 | 148.9° | 144.6° |
| C15 | C6 | C5 | H5 | 179.9° | 179.8° |
| C5 | C6 | C15 | C2 | 0.2° | 0.4° |
| C6 | C5 | C4 | H5 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.4° | 0.1° |
| C5 | C6 | N2 | H6 | 29.1° | 35.6° |
| C6 | C5 | C4 | H4 | 179.6° | 180.0° |
| C5 | C6 | C15 | H11 | 179.8° | 179.8° |
| C15 | C2 | N1 | C3 | 179.6° | 179.5° |
| C15 | C2 | N1 | C1 | 68.4° | 149.9° |
| C15 | C2 | C3 | C4 | 0.0° | 0.3° |
| C15 | C2 | C3 | H3 | 180.0° | 179.7° |
| C15 | C2 | N1 | H2 | 111.6° | 30.1° |
| C5 | C4 | C3 | C2 | 0.4° | 0.0° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | H3 | 179.6° | 180.0° |
| C2 | N1 | C1 | H2 | 180.0° | 180.0° |
| N1 | C2 | C3 | C4 | 179.7° | 179.7° |
| C2 | N1 | C1 | C16 | 179.3° | 175.1° |
| C2 | N1 | C1 | O1 | 2.0° | 4.9° |
| N1 | C2 | C3 | H3 | 0.4° | 0.2° |
| N1 | C2 | C15 | H11 | 0.0° | 0.2° |
| C3 | C2 | N1 | C1 | 111.9° | 30.6° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | H4 | 179.6° | 179.9° |
| C3 | C2 | C15 | H11 | 179.7° | 179.7° |
| C3 | C2 | N1 | H2 | 68.1° | 149.4° |
| N3 | C17 | C16 | H12 | 180.0° | 180.0° |
| N3 | C17 | C16 | C1 | 179.2° | 179.9° |
| N3 | C17 | C16 | S | 0.4° | 0.2° |
| C17 | N3 | C18 | N4 | 179.5° | 180.0° |
| C17 | N3 | C18 | S | 0.6° | 0.3° |
| C17 | C16 | C1 | N1 | 31.9° | 179.7° |
| C16 | C17 | N3 | C18 | 0.7° | 0.0° |
| C17 | C16 | C1 | S | 178.7° | 179.7° |
| C17 | C16 | C1 | O1 | 149.5° | 0.3° |
| C17 | C16 | S | C18 | 0.0° | 0.3° |
| N1 | C1 | C16 | O1 | 178.7° | 180.0° |
| N1 | C1 | C16 | S | 149.5° | 0.0° |
| C3 | C4 | C5 | H5 | 179.6° | 180.0° |
| N3 | C18 | S | C16 | 0.4° | 0.3° |
| N3 | C18 | N4 | S | 179.9° | 179.7° |
| N3 | C18 | N4 | C19 | 178.7° | 5.3° |
| C18 | N3 | C17 | H12 | 179.3° | 179.9° |
| N3 | C18 | N4 | H13 | 1.3° | 174.7° |
| C1 | C16 | S | C18 | 178.9° | 180.0° |
| C16 | C1 | N1 | H2 | 0.7° | 4.9° |
| C1 | C16 | C17 | H12 | 0.8° | 0.1° |
| O1 | C1 | C16 | S | 29.2° | 180.0° |
| O1 | C1 | N1 | H2 | 178.0° | 175.1° |
| C16 | S | C18 | N4 | 179.8° | 179.9° |
| S | C16 | C17 | H12 | 179.6° | 179.8° |
| C18 | N4 | C19 | H13 | 180.0° | 180.0° |
| C18 | N4 | C19 | C29 | 179.0° | 174.7° |
| C18 | N4 | C19 | N5 | 5.3° | 5.0° |
| S | C18 | N4 | C19 | 1.4° | 174.4° |
| S | C18 | N4 | H13 | 178.5° | 5.6° |
| N4 | C19 | C29 | N5 | 175.6° | 179.7° |
| N4 | C19 | C29 | C22 | 173.5° | 180.0° |
| N4 | C19 | N5 | C20 | 174.7° | 179.8° |
| N4 | C19 | C29 | H30 | 6.5° | 0.0° |
| C19 | C29 | C22 | H30 | 180.0° | 180.0° |
| C29 | C19 | N5 | C20 | 0.9° | 0.5° |
| C19 | C29 | C22 | N7 | 175.9° | 180.0° |
| C19 | C29 | C22 | N6 | 1.7° | 0.0° |
| C29 | C19 | N4 | H13 | 1.0° | 5.3° |
| N5 | C19 | C29 | C22 | 2.1° | 0.2° |
| C19 | N5 | C20 | N6 | 0.9° | 0.5° |
| C19 | N5 | C20 | C21 | 177.7° | 179.8° |
| N5 | C19 | N4 | H13 | 174.7° | 175.0° |
| N5 | C19 | C29 | H30 | 177.9° | 179.8° |
| C29 | C22 | N7 | C28 | 14.8° | 56.2° |
| C29 | C22 | N7 | N6 | 177.8° | 179.9° |
| C29 | C22 | N6 | C20 | 0.1° | 0.0° |
| C29 | C22 | N7 | C23 | 164.7° | 180.0° |
| N5 | C20 | N6 | C22 | 1.3° | 0.2° |
| N5 | C20 | N6 | C21 | 178.7° | 179.8° |
| N5 | C20 | C21 | H15 | 0.0° | 89.8° |
| N5 | C20 | C21 | H16 | 120.0° | 30.2° |
| N5 | C20 | C21 | H14 | 120.0° | 150.3° |
| N7 | C28 | C27 | H29 | 119.4° | 120.0° |
| N7 | C28 | C27 | H28 | 119.4° | 120.0° |
| C28 | N7 | C22 | C23 | 179.5° | 123.8° |
| C28 | N7 | C22 | N6 | 163.0° | 123.8° |
| N7 | C28 | C27 | N8 | 62.7° | 58.4° |
| C28 | N7 | C23 | C24 | 65.3° | 59.3° |
| N7 | C28 | H29 | H28 | 121.9° | 120.1° |
| N7 | C28 | C27 | H27 | 57.2° | 61.6° |
| N7 | C28 | C27 | H26 | 177.4° | 178.3° |
| C28 | N7 | C23 | H18 | 54.4° | 60.7° |
| C28 | N7 | C23 | H17 | 175.0° | 179.3° |
| C27 | C28 | N7 | C22 | 112.9° | 176.8° |
| C27 | C28 | N7 | C23 | 66.7° | 59.3° |
| C28 | C27 | N8 | H27 | 119.9° | 119.9° |
| C28 | C27 | N8 | H26 | 119.9° | 120.0° |
| C28 | C27 | N8 | C24 | 60.5° | 59.3° |
| C28 | C27 | N8 | C25 | 170.8° | 176.8° |
| C27 | C28 | H29 | H28 | 121.8° | 120.0° |
| C28 | C27 | H27 | H26 | 120.3° | 120.1° |
| N7 | C22 | N6 | C20 | 177.7° | 180.0° |
| C22 | N7 | C23 | C24 | 114.3° | 176.8° |
| N7 | C22 | C29 | H30 | 4.1° | 0.1° |
| C22 | N7 | C28 | H29 | 6.5° | 56.9° |
| C22 | N7 | C28 | H28 | 127.8° | 63.2° |
| C22 | N7 | C23 | H18 | 126.1° | 63.2° |
| C22 | N7 | C23 | H17 | 5.5° | 56.8° |
| C22 | N6 | C20 | C21 | 177.4° | 180.0° |
| N6 | C22 | N7 | C23 | 17.5° | 0.0° |
| N6 | C22 | C29 | H30 | 178.3° | 180.0° |
| N6 | C20 | C21 | H15 | 178.7° | 89.9° |
| N6 | C20 | C21 | H16 | 58.8° | 150.0° |
| N6 | C20 | C21 | H14 | 61.2° | 29.9° |
| C20 | C21 | H15 | H16 | 120.0° | 120.0° |
| C20 | C21 | H15 | H14 | 120.0° | 119.9° |
| C20 | C21 | H16 | H14 | 120.0° | 120.0° |
| N7 | C23 | C24 | H18 | 119.7° | 119.9° |
| N7 | C23 | C24 | H17 | 119.7° | 120.0° |
| N7 | C23 | C24 | N8 | 58.9° | 58.4° |
| C23 | N7 | C28 | H29 | 174.0° | 179.3° |
| C23 | N7 | C28 | H28 | 52.7° | 60.6° |
| N7 | C23 | C24 | H19 | 178.8° | 61.6° |
| N7 | C23 | C24 | H20 | 61.0° | 178.4° |
| N7 | C23 | H18 | H17 | 120.9° | 120.1° |
| C27 | N8 | C24 | C23 | 58.0° | 59.3° |
| C27 | N8 | C24 | C25 | 129.1° | 123.9° |
| C27 | N8 | C25 | C26 | 58.5° | 75.8° |
| N8 | C27 | C28 | H29 | 177.9° | 178.4° |
| N8 | C27 | C28 | H28 | 56.6° | 61.6° |
| N8 | C27 | H27 | H26 | 120.3° | 120.1° |
| C27 | N8 | C24 | H19 | 177.9° | 60.6° |
| C27 | N8 | C24 | H20 | 61.9° | 179.3° |
| C27 | N8 | C25 | H22 | 62.2° | 164.2° |
| C27 | N8 | C25 | H21 | 179.2° | 44.2° |
| C23 | C24 | N8 | H19 | 119.9° | 119.9° |
| C23 | C24 | N8 | H20 | 119.9° | 120.0° |
| C23 | C24 | N8 | C25 | 172.9° | 176.8° |
| C23 | C24 | H19 | H20 | 120.2° | 120.0° |
| C24 | C23 | H18 | H17 | 120.9° | 120.0° |
| C24 | N8 | C25 | C26 | 68.5° | 160.4° |
| C24 | N8 | C27 | H27 | 59.4° | 60.6° |
| C24 | N8 | C27 | H26 | 179.6° | 179.3° |
| N8 | C24 | H19 | H20 | 120.2° | 120.1° |
| N8 | C24 | C23 | H18 | 60.8° | 61.6° |
| N8 | C24 | C23 | H17 | 178.6° | 178.4° |
| C24 | N8 | C25 | H22 | 170.8° | 40.4° |
| C24 | N8 | C25 | H21 | 52.2° | 79.6° |
| N8 | C25 | C26 | H22 | 120.7° | 120.0° |
| N8 | C25 | C26 | H21 | 120.7° | 120.0° |
| N8 | C25 | C26 | O3 | 80.6° | 64.3° |
| C25 | N8 | C27 | H27 | 69.3° | 63.2° |
| C25 | N8 | C27 | H26 | 50.9° | 56.9° |
| C25 | N8 | C24 | H19 | 53.0° | 63.3° |
| C25 | N8 | C24 | H20 | 67.2° | 56.8° |
| N8 | C25 | H22 | H21 | 117.9° | 120.0° |
| N8 | C25 | C26 | H23 | 39.6° | 175.6° |
| N8 | C25 | C26 | H24 | 159.2° | 55.7° |
| C25 | C26 | O3 | H23 | 120.2° | 120.0° |
| C25 | C26 | O3 | H24 | 120.2° | 120.0° |
| C26 | C25 | H22 | H21 | 117.8° | 120.0° |
| C25 | C26 | H23 | H24 | 119.3° | 119.9° |
| C25 | C26 | O3 | H25 | 180.0° | 180.0° |
| O3 | C26 | C25 | H22 | 158.7° | 55.7° |
| O3 | C26 | C25 | H21 | 40.1° | 175.7° |
| O3 | C26 | H23 | H24 | 119.3° | 120.1° |
| H10 | C14 | C13 | H9 | 2.8° | 0.1° |
| H9 | C13 | C12 | H8 | 1.3° | 0.0° |
| H5 | C5 | C4 | H4 | 0.4° | 0.1° |
| H4 | C4 | C3 | H3 | 0.4° | 0.1° |
| H15 | C21 | H16 | H14 | 120.0° | 120.0° |
| H29 | C28 | C27 | H27 | 62.2° | 58.4° |
| H29 | C28 | C27 | H26 | 58.0° | 61.6° |
| H28 | C28 | C27 | H27 | 176.5° | 178.5° |
| H28 | C28 | C27 | H26 | 63.2° | 58.4° |
| H19 | C24 | C23 | H18 | 59.1° | 178.5° |
| H19 | C24 | C23 | H17 | 61.5° | 58.4° |
| H20 | C24 | C23 | H18 | 179.3° | 58.4° |
| H20 | C24 | C23 | H17 | 58.7° | 61.6° |
| H22 | C25 | C26 | H23 | 81.1° | 64.4° |
| H22 | C25 | C26 | H24 | 38.5° | 175.7° |
| H21 | C25 | C26 | H23 | 160.3° | 55.6° |
| H21 | C25 | C26 | H24 | 80.1° | 64.3° |
| H23 | C26 | O3 | H25 | 59.8° | 60.0° |
| H24 | C26 | O3 | H25 | 59.8° | 60.0° |
