7H5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | S | sing | 1.81Å | 1.66Å | |
| O4 | S | doub | 1.42Å | 1.43Å | |
| O3 | S | doub | 1.42Å | 1.44Å | |
| O | C4 | doub | 1.21Å | 1.32Å | |
| S | C23 | sing | 1.76Å | 1.59Å | |
| N4 | C10 | sing | 1.38Å | 1.32Å | |
| C4 | C2 | sing | 1.51Å | 1.48Å | |
| C4 | O1 | sing | 1.34Å | 1.22Å | |
| C27 | C26 | sing | 1.53Å | 1.50Å | |
| C27 | C | sing | 1.53Å | 1.51Å | |
| C3 | C2 | sing | 1.55Å | 1.52Å | |
| C3 | C | sing | 1.54Å | 1.51Å | |
| C2 | N | sing | 1.49Å | 1.45Å | |
| C26 | N1 | sing | 1.47Å | 1.46Å | |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| N3 | C10 | doub | 1.32Å | 1.33Å | Aromatic |
| N3 | C7 | sing | 1.33Å | 1.34Å | Aromatic |
| C10 | N2 | sing | 1.33Å | 1.34Å | Aromatic |
| C | C5 | sing | 1.53Å | 1.52Å | |
| C | C1 | sing | 1.54Å | 1.55Å | |
| C22 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| N1 | C7 | sing | 1.39Å | 1.38Å | |
| N1 | C6 | sing | 1.47Å | 1.46Å | |
| C24 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| N | C1 | sing | 1.48Å | 1.47Å | |
| N2 | C9 | doub | 1.33Å | 1.34Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.35Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C14 | sing | 1.48Å | 1.50Å | |
| C9 | O2 | sing | 1.36Å | 1.36Å | |
| C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.49Å | Aromatic |
| CL | C16 | sing | 1.74Å | 1.78Å | |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| O2 | C11 | sing | 1.43Å | 1.41Å | |
| C13 | C11 | sing | 1.51Å | 1.49Å | |
| C13 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| C12 | F | sing | 1.40Å | 1.34Å | |
| C12 | F1 | sing | 1.40Å | 1.32Å | |
| C12 | F2 | sing | 1.40Å | 1.32Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| N | H10 | sing | 1.01Å | 1.00Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C24 | H18 | sing | 1.08Å | 1.08Å | |
| C15 | H19 | sing | 1.08Å | 1.08Å | |
| C17 | H20 | sing | 1.08Å | 1.08Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C8 | H23 | sing | 1.08Å | 1.08Å | |
| N4 | H24 | sing | 0.97Å | 1.00Å | |
| N4 | H25 | sing | 0.97Å | 1.00Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| O1 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | S | O4 | 109.1° | 110.5° |
| C25 | S | O3 | 103.1° | 110.6° |
| C25 | S | C23 | 113.4° | 104.4° |
| S | C25 | H12 | 109.5° | 109.5° |
| S | C25 | H13 | 109.5° | 109.5° |
| S | C25 | H14 | 109.4° | 109.5° |
| O4 | S | O3 | 111.6° | 121.0° |
| O4 | S | C23 | 108.7° | 104.3° |
| O3 | S | C23 | 110.8° | 104.3° |
| O | C4 | C2 | 117.9° | 120.0° |
| O | C4 | O1 | 120.6° | 120.0° |
| S | C23 | C22 | 120.6° | 119.9° |
| S | C23 | C24 | 118.9° | 119.9° |
| N4 | C10 | N3 | 121.3° | 119.2° |
| N4 | C10 | N2 | 117.8° | 119.1° |
| C10 | N4 | H24 | 109.5° | 120.0° |
| C10 | N4 | H25 | 109.5° | 120.0° |
| C2 | C4 | O1 | 121.5° | 120.0° |
| C4 | C2 | C3 | 110.9° | 110.6° |
| C4 | C2 | N | 117.9° | 110.7° |
| C4 | C2 | H7 | 109.2° | 110.6° |
| C4 | O1 | H30 | 109.5° | 117.0° |
| C26 | C27 | C | 118.0° | 109.3° |
| C27 | C26 | N1 | 112.1° | 109.5° |
| C27 | C26 | H26 | 108.8° | 109.5° |
| C27 | C26 | H27 | 108.8° | 109.4° |
| C26 | C27 | H28 | 107.3° | 109.5° |
| C26 | C27 | H29 | 107.3° | 109.5° |
| C27 | C | C3 | 106.9° | 110.0° |
| C27 | C | C5 | 106.9° | 110.5° |
| C27 | C | C1 | 113.8° | 110.3° |
| C | C27 | H28 | 107.3° | 109.5° |
| C | C27 | H29 | 107.3° | 109.5° |
| C2 | C3 | C | 105.2° | 102.8° |
| C3 | C2 | N | 99.8° | 103.3° |
| C2 | C3 | H5 | 110.5° | 110.7° |
| C2 | C3 | H6 | 110.6° | 110.7° |
| C3 | C2 | H7 | 108.8° | 110.6° |
| C3 | C | C5 | 107.8° | 110.0° |
| C3 | C | C1 | 104.8° | 105.6° |
| C | C3 | H5 | 110.5° | 110.8° |
| C | C3 | H6 | 110.5° | 110.7° |
| C2 | N | C1 | 111.8° | 105.8° |
| N | C2 | H7 | 109.7° | 110.9° |
| C2 | N | H10 | 108.9° | 111.0° |
| C26 | N1 | C7 | 112.3° | 111.0° |
| C26 | N1 | C6 | 124.4° | 111.3° |
| N1 | C26 | H26 | 108.8° | 109.5° |
| N1 | C26 | H27 | 108.8° | 109.4° |
| C22 | C23 | C24 | 120.4° | 120.1° |
| C23 | C22 | C21 | 119.5° | 120.2° |
| C23 | C22 | H15 | 120.3° | 119.9° |
| C23 | C24 | C19 | 120.5° | 119.9° |
| C23 | C24 | H18 | 119.7° | 120.1° |
| C10 | N3 | C7 | 120.6° | 120.7° |
| N3 | C10 | N2 | 120.9° | 121.7° |
| N3 | C7 | N1 | 120.7° | 120.4° |
| N3 | C7 | C8 | 119.6° | 119.1° |
| C10 | N2 | C9 | 119.5° | 120.8° |
| C5 | C | C1 | 116.1° | 110.3° |
| C | C5 | C6 | 115.6° | 109.4° |
| C | C5 | H1 | 107.9° | 109.5° |
| C | C5 | H2 | 107.9° | 109.6° |
| C | C1 | N | 102.7° | 106.9° |
| C | C1 | H8 | 111.1° | 110.0° |
| C | C1 | H9 | 111.2° | 110.0° |
| C22 | C21 | C20 | 120.0° | 120.1° |
| C21 | C22 | H15 | 120.2° | 119.9° |
| C22 | C21 | H16 | 120.0° | 120.0° |
| C7 | N1 | C6 | 121.6° | 111.0° |
| N1 | C7 | C8 | 119.2° | 120.5° |
| N1 | C6 | C5 | 112.0° | 109.4° |
| N1 | C6 | H3 | 108.8° | 109.5° |
| N1 | C6 | H4 | 108.8° | 109.5° |
| C24 | C19 | C20 | 119.0° | 119.7° |
| C24 | C19 | C14 | 115.9° | 120.2° |
| C19 | C24 | H18 | 119.8° | 120.0° |
| C6 | C5 | H1 | 107.9° | 109.5° |
| C6 | C5 | H2 | 108.0° | 109.5° |
| C5 | C6 | H3 | 108.8° | 109.4° |
| C5 | C6 | H4 | 108.8° | 109.5° |
| C7 | C8 | C9 | 118.2° | 118.4° |
| C7 | C8 | H23 | 120.9° | 120.7° |
| N | C1 | H8 | 111.1° | 110.0° |
| N | C1 | H9 | 111.1° | 110.0° |
| C1 | N | H10 | 108.9° | 111.0° |
| N2 | C9 | C8 | 121.1° | 119.2° |
| N2 | C9 | O2 | 121.7° | 120.4° |
| C21 | C20 | C19 | 120.5° | 119.9° |
| C20 | C21 | H16 | 120.0° | 119.9° |
| C21 | C20 | H17 | 119.7° | 120.1° |
| C8 | C9 | O2 | 117.2° | 120.4° |
| C9 | C8 | H23 | 120.9° | 120.9° |
| C20 | C19 | C14 | 125.1° | 120.1° |
| C19 | C20 | H17 | 119.7° | 120.1° |
| C19 | C14 | C15 | 120.2° | 120.1° |
| C19 | C14 | C13 | 122.3° | 120.1° |
| C9 | O2 | C11 | 118.2° | 117.0° |
| C14 | C15 | C16 | 120.5° | 119.9° |
| C15 | C14 | C13 | 117.4° | 119.7° |
| C14 | C15 | H19 | 119.7° | 120.0° |
| C15 | C16 | CL | 120.2° | 120.0° |
| C15 | C16 | C17 | 122.2° | 120.1° |
| C16 | C15 | H19 | 119.7° | 120.1° |
| C14 | C13 | C11 | 122.5° | 120.0° |
| C14 | C13 | C18 | 118.9° | 119.9° |
| CL | C16 | C17 | 117.6° | 120.0° |
| C16 | C17 | C18 | 119.5° | 120.2° |
| C16 | C17 | H20 | 120.3° | 119.9° |
| O2 | C11 | C13 | 103.5° | 109.5° |
| O2 | C11 | C12 | 110.2° | 109.5° |
| O2 | C11 | H22 | 110.0° | 109.5° |
| C11 | C13 | C18 | 118.6° | 120.0° |
| C13 | C11 | C12 | 115.7° | 109.5° |
| C13 | C11 | H22 | 108.9° | 109.5° |
| C13 | C18 | C17 | 121.4° | 120.1° |
| C13 | C18 | H21 | 119.3° | 120.0° |
| C11 | C12 | F | 108.8° | 109.5° |
| C11 | C12 | F1 | 108.5° | 109.5° |
| C11 | C12 | F2 | 111.2° | 109.5° |
| C12 | C11 | H22 | 108.4° | 109.5° |
| C18 | C17 | H20 | 120.2° | 119.9° |
| C17 | C18 | H21 | 119.3° | 119.9° |
| F | C12 | F1 | 110.3° | 109.4° |
| F | C12 | F2 | 108.1° | 109.5° |
| F1 | C12 | F2 | 109.8° | 109.5° |
| H1 | C5 | H2 | 109.4° | 109.5° |
| H3 | C6 | H4 | 109.5° | 109.6° |
| H5 | C3 | H6 | 109.5° | 110.8° |
| H8 | C1 | H9 | 109.5° | 110.0° |
| H12 | C25 | H13 | 109.5° | 109.5° |
| H12 | C25 | H14 | 109.5° | 109.4° |
| H13 | C25 | H14 | 109.5° | 109.5° |
| H24 | N4 | H25 | 109.5° | 120.1° |
| H26 | C26 | H27 | 109.4° | 109.5° |
| H28 | C27 | H29 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | S | O4 | O3 | 113.3° | 131.5° |
| C25 | S | O4 | C23 | 124.1° | 111.7° |
| C25 | S | O3 | C23 | 121.7° | 111.7° |
| C25 | S | C23 | C22 | 99.4° | 90.0° |
| C25 | S | C23 | C24 | 84.0° | 90.3° |
| S | C25 | H12 | H13 | 120.0° | 120.0° |
| S | C25 | H12 | H14 | 120.0° | 120.0° |
| S | C25 | H13 | H14 | 120.0° | 120.0° |
| O4 | S | O3 | C23 | 121.3° | 116.8° |
| O4 | S | C23 | C22 | 22.2° | 26.0° |
| O4 | S | C23 | C24 | 154.5° | 153.7° |
| O4 | S | C25 | H12 | 180.0° | 51.6° |
| O4 | S | C25 | H13 | 60.0° | 171.6° |
| O4 | S | C25 | H14 | 60.0° | 68.4° |
| O3 | S | C23 | C22 | 145.2° | 153.9° |
| O3 | S | C23 | C24 | 31.5° | 25.8° |
| O3 | S | C25 | H12 | 61.3° | 171.7° |
| O3 | S | C25 | H13 | 178.7° | 51.7° |
| O3 | S | C25 | H14 | 58.7° | 68.4° |
| O | C4 | C2 | O1 | 177.9° | 179.7° |
| O | C4 | C2 | C3 | 68.8° | 100.3° |
| O | C4 | C2 | N | 177.2° | 13.5° |
| O | C4 | C2 | H7 | 51.1° | 136.8° |
| O | C4 | O1 | H30 | 0.0° | 0.3° |
| S | C23 | C22 | C24 | 176.6° | 179.7° |
| S | C23 | C22 | C21 | 178.5° | 180.0° |
| S | C23 | C24 | C19 | 177.5° | 179.8° |
| C23 | S | C25 | H12 | 58.7° | 60.0° |
| C23 | S | C25 | H13 | 61.4° | 60.0° |
| C23 | S | C25 | H14 | 178.7° | 180.0° |
| S | C23 | C22 | H15 | 1.5° | 0.1° |
| S | C23 | C24 | H18 | 2.5° | 0.0° |
| N4 | C10 | N3 | N2 | 178.4° | 180.0° |
| N4 | C10 | N3 | C7 | 177.3° | 179.9° |
| N4 | C10 | N2 | C9 | 179.9° | 180.0° |
| C10 | N4 | H24 | H25 | 120.0° | 180.0° |
| C4 | C2 | C3 | N | 125.0° | 118.4° |
| C4 | C2 | C3 | H7 | 120.1° | 122.9° |
| C4 | C2 | C3 | C | 163.5° | 155.5° |
| C4 | C2 | N | H7 | 125.8° | 123.1° |
| C4 | C2 | N | C1 | 157.0° | 157.4° |
| C4 | C2 | C3 | H5 | 44.2° | 37.1° |
| C4 | C2 | C3 | H6 | 77.2° | 86.2° |
| C4 | C2 | N | H10 | 82.6° | 82.1° |
| C2 | C4 | O1 | H30 | 177.9° | 180.0° |
| O1 | C4 | C2 | C3 | 109.1° | 80.0° |
| O1 | C4 | C2 | N | 4.9° | 166.2° |
| O1 | C4 | C2 | H7 | 131.0° | 42.9° |
| C26 | C27 | C | H28 | 121.2° | 119.9° |
| C26 | C27 | C | H29 | 121.2° | 119.9° |
| C26 | C27 | C | C3 | 167.5° | 178.0° |
| C27 | C26 | N1 | H26 | 120.4° | 120.1° |
| C27 | C26 | N1 | H27 | 120.4° | 119.9° |
| C26 | C27 | C | C5 | 52.4° | 56.3° |
| C26 | C27 | C | C1 | 77.3° | 65.9° |
| C27 | C26 | N1 | C7 | 168.1° | 173.6° |
| C27 | C26 | N1 | C6 | 27.0° | 62.2° |
| C27 | C26 | H26 | H27 | 118.8° | 120.0° |
| C26 | C27 | H28 | H29 | 116.1° | 120.1° |
| C27 | C | C3 | C2 | 93.5° | 97.3° |
| C27 | C | C3 | C5 | 114.6° | 121.9° |
| C27 | C | C3 | C1 | 121.1° | 119.0° |
| C | C27 | C26 | N1 | 38.7° | 58.3° |
| C27 | C | C5 | C1 | 128.3° | 122.2° |
| C27 | C | C5 | C6 | 54.8° | 56.3° |
| C27 | C | C1 | N | 110.9° | 120.2° |
| C27 | C | C5 | H1 | 175.7° | 63.6° |
| C27 | C | C5 | H2 | 66.1° | 176.3° |
| C27 | C | C3 | H5 | 147.2° | 144.3° |
| C27 | C | C3 | H6 | 25.8° | 21.0° |
| C27 | C | C1 | H8 | 130.2° | 120.5° |
| C27 | C | C1 | H9 | 8.0° | 0.7° |
| C | C27 | C26 | H26 | 159.1° | 61.7° |
| C | C27 | C26 | H27 | 81.7° | 178.3° |
| C | C27 | H28 | H29 | 116.2° | 120.1° |
| C2 | C3 | C | H5 | 119.3° | 118.3° |
| C2 | C3 | C | H6 | 119.3° | 118.3° |
| C3 | C2 | N | H7 | 114.1° | 118.5° |
| C2 | C3 | C | C5 | 151.9° | 140.7° |
| C2 | C3 | C | C1 | 27.6° | 21.7° |
| C3 | C2 | N | C1 | 37.0° | 39.0° |
| C2 | C3 | H5 | H6 | 122.0° | 123.3° |
| C3 | C2 | N | H10 | 157.4° | 159.5° |
| C | C3 | C2 | N | 38.5° | 37.1° |
| C3 | C | C5 | C1 | 117.2° | 116.1° |
| C3 | C | C5 | C6 | 169.3° | 178.0° |
| C3 | C | C1 | N | 5.5° | 1.3° |
| C3 | C | C5 | H1 | 69.7° | 58.0° |
| C3 | C | C5 | H2 | 48.4° | 62.0° |
| C | C3 | H5 | H6 | 121.9° | 123.3° |
| C | C3 | C2 | H7 | 76.4° | 81.6° |
| C3 | C | C1 | H8 | 113.4° | 120.6° |
| C3 | C | C1 | H9 | 124.4° | 118.1° |
| C3 | C | C27 | H28 | 71.3° | 58.1° |
| C3 | C | C27 | H29 | 46.3° | 62.1° |
| C2 | N | C1 | C | 20.3° | 25.3° |
| C2 | N | C1 | H10 | 120.4° | 120.5° |
| N | C2 | C3 | H5 | 80.8° | 81.3° |
| N | C2 | C3 | H6 | 157.8° | 155.4° |
| C2 | N | C1 | H8 | 139.2° | 144.6° |
| C2 | N | C1 | H9 | 98.6° | 94.1° |
| C26 | N1 | C7 | N3 | 26.7° | 124.1° |
| C26 | N1 | C7 | C6 | 165.4° | 124.3° |
| C26 | N1 | C6 | C5 | 30.2° | 62.1° |
| C26 | N1 | C7 | C8 | 145.2° | 55.7° |
| C26 | N1 | C6 | H3 | 150.5° | 57.8° |
| C26 | N1 | C6 | H4 | 90.2° | 177.9° |
| N1 | C26 | H26 | H27 | 118.8° | 120.0° |
| N1 | C26 | C27 | H28 | 159.9° | 61.6° |
| N1 | C26 | C27 | H29 | 82.5° | 178.3° |
| C23 | C22 | C21 | H15 | 180.0° | 180.0° |
| C22 | C23 | C24 | C19 | 0.8° | 0.5° |
| C23 | C22 | C21 | C20 | 2.1° | 0.0° |
| C23 | C22 | C21 | H16 | 177.9° | 179.9° |
| C22 | C23 | C24 | H18 | 179.2° | 179.7° |
| C24 | C23 | C22 | C21 | 1.9° | 0.3° |
| C23 | C24 | C19 | H18 | 180.0° | 179.8° |
| C23 | C24 | C19 | C20 | 0.1° | 0.5° |
| C23 | C24 | C19 | C14 | 178.2° | 180.0° |
| C24 | C23 | C22 | H15 | 178.1° | 179.7° |
| C10 | N3 | C7 | N1 | 176.0° | 179.8° |
| C10 | N3 | C7 | C8 | 4.2° | 0.1° |
| N3 | C10 | N2 | C9 | 1.4° | 0.0° |
| N3 | C10 | N4 | H24 | 0.0° | 180.0° |
| N3 | C10 | N4 | H25 | 120.0° | 0.0° |
| C7 | N3 | C10 | N2 | 1.1° | 0.0° |
| N3 | C7 | N1 | C8 | 171.8° | 179.8° |
| N3 | C7 | N1 | C6 | 167.9° | 0.2° |
| N3 | C7 | C8 | C9 | 4.7° | 0.1° |
| N3 | C7 | C8 | H23 | 175.3° | 179.9° |
| C10 | N2 | C9 | C8 | 0.8° | 0.0° |
| C10 | N2 | C9 | O2 | 176.7° | 180.0° |
| N2 | C10 | N4 | H24 | 178.4° | 0.0° |
| N2 | C10 | N4 | H25 | 61.6° | 180.0° |
| C | C5 | C6 | N1 | 44.4° | 58.2° |
| C | C5 | C6 | H1 | 120.9° | 120.0° |
| C | C5 | C6 | H2 | 120.9° | 120.0° |
| C5 | C | C1 | N | 124.3° | 117.5° |
| C | C5 | H1 | H2 | 117.2° | 120.1° |
| C | C5 | C6 | H3 | 164.8° | 61.7° |
| C | C5 | C6 | H4 | 76.0° | 178.2° |
| C5 | C | C3 | H5 | 32.6° | 22.4° |
| C5 | C | C3 | H6 | 88.8° | 100.9° |
| C5 | C | C1 | H8 | 5.3° | 1.8° |
| C5 | C | C1 | H9 | 116.8° | 123.1° |
| C5 | C | C27 | H28 | 173.5° | 63.6° |
| C5 | C | C27 | H29 | 68.9° | 176.3° |
| C1 | C | C5 | C6 | 73.5° | 65.9° |
| C | C1 | N | H8 | 118.9° | 119.3° |
| C | C1 | N | H9 | 118.9° | 119.4° |
| C1 | C | C5 | H1 | 47.4° | 174.1° |
| C1 | C | C5 | H2 | 165.6° | 54.0° |
| C1 | C | C3 | H5 | 91.7° | 96.6° |
| C1 | C | C3 | H6 | 147.0° | 140.0° |
| C | C1 | H8 | H9 | 123.1° | 121.2° |
| C | C1 | N | H10 | 140.7° | 145.8° |
| C1 | C | C27 | H28 | 43.9° | 174.2° |
| C1 | C | C27 | H29 | 161.5° | 54.0° |
| C22 | C21 | C20 | H16 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 1.3° | 0.0° |
| C22 | C21 | C20 | H17 | 178.8° | 180.0° |
| C7 | N1 | C6 | C5 | 166.2° | 173.7° |
| N1 | C7 | C8 | C9 | 176.6° | 179.7° |
| C7 | N1 | C6 | H3 | 45.9° | 66.4° |
| C7 | N1 | C6 | H4 | 73.4° | 53.7° |
| N1 | C7 | C8 | H23 | 3.4° | 0.2° |
| C7 | N1 | C26 | H26 | 47.7° | 66.3° |
| C7 | N1 | C26 | H27 | 71.5° | 53.7° |
| N1 | C6 | C5 | H3 | 120.4° | 119.9° |
| N1 | C6 | C5 | H4 | 120.4° | 120.0° |
| C6 | N1 | C7 | C8 | 20.3° | 179.9° |
| N1 | C6 | C5 | H1 | 165.3° | 61.8° |
| N1 | C6 | C5 | H2 | 76.5° | 178.3° |
| N1 | C6 | H3 | H4 | 118.8° | 120.1° |
| C6 | N1 | C26 | H26 | 147.4° | 57.8° |
| C6 | N1 | C26 | H27 | 93.4° | 177.9° |
| C24 | C19 | C20 | C21 | 0.2° | 0.2° |
| C24 | C19 | C20 | C14 | 177.9° | 179.5° |
| C24 | C19 | C14 | C15 | 49.7° | 56.7° |
| C24 | C19 | C14 | C13 | 126.3° | 123.0° |
| C24 | C19 | C20 | H17 | 179.9° | 179.8° |
| C6 | C5 | H1 | H2 | 117.2° | 120.0° |
| C5 | C6 | H3 | H4 | 118.8° | 120.0° |
| C7 | C8 | C9 | N2 | 2.2° | 0.0° |
| C7 | C8 | C9 | H23 | 180.0° | 180.0° |
| C7 | C8 | C9 | O2 | 179.9° | 180.0° |
| C1 | N | C2 | H7 | 77.1° | 79.5° |
| N | C1 | H8 | H9 | 123.1° | 121.3° |
| N2 | C9 | C8 | O2 | 177.7° | 180.0° |
| N2 | C9 | O2 | C11 | 17.1° | 0.0° |
| N2 | C9 | C8 | H23 | 177.8° | 180.0° |
| C21 | C20 | C19 | H17 | 180.0° | 180.0° |
| C21 | C20 | C19 | C14 | 177.8° | 179.7° |
| C20 | C21 | C22 | H15 | 177.9° | 180.0° |
| C8 | C9 | O2 | C11 | 160.5° | 180.0° |
| C20 | C19 | C14 | C15 | 132.3° | 122.8° |
| C20 | C19 | C14 | C13 | 51.7° | 57.5° |
| C19 | C20 | C21 | H16 | 178.8° | 179.9° |
| C20 | C19 | C24 | H18 | 179.9° | 179.7° |
| C19 | C14 | C15 | C13 | 176.2° | 179.7° |
| C19 | C14 | C15 | C16 | 177.6° | 180.0° |
| C19 | C14 | C13 | C11 | 2.8° | 0.0° |
| C19 | C14 | C13 | C18 | 177.3° | 179.7° |
| C14 | C19 | C20 | H17 | 2.2° | 0.3° |
| C14 | C19 | C24 | H18 | 1.8° | 0.2° |
| C19 | C14 | C15 | H19 | 2.4° | 0.0° |
| C9 | O2 | C11 | C13 | 108.5° | 150.0° |
| C9 | O2 | C11 | C12 | 127.2° | 90.0° |
| C9 | O2 | C11 | H22 | 7.8° | 30.0° |
| O2 | C9 | C8 | H23 | 0.2° | 0.0° |
| C14 | C15 | C16 | H19 | 180.0° | 180.0° |
| C14 | C15 | C16 | CL | 179.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.6° | 0.0° |
| C15 | C14 | C13 | C11 | 178.9° | 179.7° |
| C15 | C14 | C13 | C18 | 1.1° | 0.6° |
| C16 | C15 | C14 | C13 | 1.4° | 0.3° |
| C15 | C16 | CL | C17 | 179.6° | 180.0° |
| C15 | C16 | C17 | C18 | 0.6° | 0.0° |
| C15 | C16 | C17 | H20 | 179.4° | 180.0° |
| C14 | C13 | C11 | O2 | 125.2° | 153.4° |
| C14 | C13 | C11 | C18 | 180.0° | 179.7° |
| C14 | C13 | C11 | C12 | 114.2° | 86.6° |
| C14 | C13 | C18 | C17 | 0.0° | 0.6° |
| C13 | C14 | C15 | H19 | 178.6° | 179.7° |
| C14 | C13 | C18 | H21 | 180.0° | 179.7° |
| C14 | C13 | C11 | H22 | 8.2° | 33.5° |
| CL | C16 | C17 | C18 | 179.8° | 180.0° |
| CL | C16 | C15 | H19 | 1.0° | 0.0° |
| CL | C16 | C17 | H20 | 0.2° | 0.0° |
| C16 | C17 | C18 | C13 | 0.8° | 0.3° |
| C16 | C17 | C18 | H20 | 180.0° | 179.9° |
| C17 | C16 | C15 | H19 | 179.4° | 180.0° |
| C16 | C17 | C18 | H21 | 179.2° | 180.0° |
| O2 | C11 | C13 | C12 | 120.6° | 120.0° |
| O2 | C11 | C13 | H22 | 117.0° | 120.0° |
| O2 | C11 | C13 | C18 | 54.8° | 26.2° |
| O2 | C11 | C12 | H22 | 120.4° | 120.0° |
| O2 | C11 | C12 | F | 66.4° | 180.0° |
| O2 | C11 | C12 | F1 | 173.5° | 60.0° |
| O2 | C11 | C12 | F2 | 52.6° | 60.0° |
| C13 | C11 | C12 | H22 | 122.7° | 120.0° |
| C11 | C13 | C18 | C17 | 180.0° | 179.7° |
| C13 | C11 | C12 | F | 176.7° | 60.0° |
| C13 | C11 | C12 | F1 | 56.6° | 180.0° |
| C13 | C11 | C12 | F2 | 64.3° | 60.0° |
| C11 | C13 | C18 | H21 | 0.0° | 0.0° |
| C18 | C13 | C11 | C12 | 65.8° | 93.7° |
| C13 | C18 | C17 | H21 | 180.0° | 179.7° |
| C13 | C18 | C17 | H20 | 179.2° | 179.7° |
| C18 | C13 | C11 | H22 | 171.8° | 146.2° |
| C11 | C12 | F | F1 | 119.0° | 120.0° |
| C11 | C12 | F | F2 | 120.9° | 120.1° |
| C11 | C12 | F1 | F2 | 121.7° | 120.0° |
| F | C12 | F1 | F2 | 119.1° | 120.0° |
| F | C12 | C11 | H22 | 54.0° | 60.0° |
| F1 | C12 | C11 | H22 | 66.1° | 60.0° |
| F2 | C12 | C11 | H22 | 173.0° | 180.0° |
| H1 | C5 | C6 | H3 | 74.3° | 178.3° |
| H1 | C5 | C6 | H4 | 44.9° | 58.2° |
| H2 | C5 | C6 | H3 | 43.9° | 58.4° |
| H2 | C5 | C6 | H4 | 163.1° | 61.7° |
| H5 | C3 | C2 | H7 | 164.3° | 160.0° |
| H6 | C3 | C2 | H7 | 42.9° | 36.7° |
| H7 | C2 | N | H10 | 43.2° | 41.0° |
| H8 | C1 | N | H10 | 100.4° | 94.9° |
| H9 | C1 | N | H10 | 21.8° | 26.4° |
| H12 | C25 | H13 | H14 | 120.0° | 119.9° |
| H15 | C22 | C21 | H16 | 2.1° | 0.1° |
| H16 | C21 | C20 | H17 | 1.2° | 0.1° |
| H20 | C17 | C18 | H21 | 0.9° | 0.0° |
| H26 | C26 | C27 | H28 | 79.7° | 178.3° |
| H26 | C26 | C27 | H29 | 37.9° | 58.2° |
| H27 | C26 | C27 | H28 | 39.5° | 58.3° |
| H27 | C26 | C27 | H29 | 157.1° | 61.8° |
