S3X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C18 | doub | 1.36Å | 1.37Å | Aromatic |
| C17 | C16 | sing | 1.40Å | 1.42Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.40Å | 1.42Å | Aromatic |
| C15 | N4 | sing | 1.31Å | 1.33Å | Aromatic |
| C16 | C21 | sing | 1.42Å | 1.42Å | Aromatic |
| C19 | C20 | doub | 1.36Å | 1.37Å | Aromatic |
| N4 | C14 | doub | 1.32Å | 1.34Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.42Å | Aromatic |
| C21 | C13 | doub | 1.41Å | 1.43Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | N3 | sing | 1.40Å | 1.41Å | |
| O | N | doub | 1.22Å | 1.22Å | |
| N3 | C12 | sing | 1.35Å | 1.35Å | |
| N | O1 | sing | 1.22Å | 1.22Å | |
| N | C7 | sing | 1.48Å | 1.47Å | |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.53Å | |
| C12 | O2 | doub | 1.21Å | 1.23Å | |
| C7 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | N2 | sing | 1.47Å | 1.47Å | |
| C11 | C26 | sing | 1.51Å | 1.52Å | |
| C5 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | N2 | sing | 1.47Å | 1.46Å | |
| C9 | C8 | sing | 1.51Å | 1.52Å | |
| N2 | C22 | sing | 1.47Å | 1.47Å | |
| O3 | C8 | doub | 1.21Å | 1.23Å | |
| C26 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C26 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | N1 | sing | 1.35Å | 1.34Å | |
| C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| N1 | C1 | sing | 1.47Å | 1.47Å | |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C23 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C | sing | 1.53Å | 1.53Å | |
| C28 | CL | sing | 1.74Å | 1.75Å | |
| C28 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.08Å | 1.08Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.08Å | 1.08Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H23 | sing | 1.08Å | 1.08Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.08Å | 1.08Å | |
| C18 | H26 | sing | 1.08Å | 1.08Å | |
| C14 | H27 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | C16 | 120.6° | 119.5° |
| C17 | C18 | C19 | 120.6° | 121.1° |
| C18 | C17 | H9 | 119.7° | 120.3° |
| C17 | C18 | H26 | 119.7° | 119.4° |
| C17 | C16 | C15 | 123.1° | 122.0° |
| C17 | C16 | C21 | 119.1° | 119.3° |
| C16 | C17 | H9 | 119.7° | 120.2° |
| C18 | C19 | C20 | 120.6° | 121.0° |
| C18 | C19 | H25 | 119.7° | 119.5° |
| C19 | C18 | H26 | 119.7° | 119.5° |
| C16 | C15 | N4 | 124.1° | 120.2° |
| C15 | C16 | C21 | 117.8° | 118.7° |
| C16 | C15 | H8 | 118.0° | 119.9° |
| C15 | N4 | C14 | 117.5° | 122.9° |
| N4 | C15 | H8 | 118.0° | 119.9° |
| C16 | C21 | C20 | 118.2° | 119.6° |
| C16 | C21 | C13 | 118.0° | 118.2° |
| C19 | C20 | C21 | 120.9° | 119.5° |
| C19 | C20 | H10 | 119.5° | 120.3° |
| C20 | C19 | H25 | 119.7° | 119.5° |
| N4 | C14 | C13 | 125.1° | 121.6° |
| N4 | C14 | H27 | 117.5° | 119.2° |
| C20 | C21 | C13 | 123.8° | 122.2° |
| C21 | C20 | H10 | 119.6° | 120.2° |
| C21 | C13 | C14 | 117.6° | 118.4° |
| C21 | C13 | N3 | 118.8° | 120.8° |
| C14 | C13 | N3 | 123.6° | 120.8° |
| C13 | C14 | H27 | 117.5° | 119.2° |
| C13 | N3 | C12 | 127.1° | 120.0° |
| C13 | N3 | H2 | 116.5° | 120.0° |
| O | N | O1 | 123.4° | 120.0° |
| O | N | C7 | 118.3° | 119.9° |
| N3 | C12 | C11 | 115.0° | 120.0° |
| N3 | C12 | O2 | 122.6° | 120.0° |
| C12 | N3 | H2 | 116.5° | 120.0° |
| O1 | N | C7 | 118.3° | 120.0° |
| N | C7 | C6 | 119.0° | 120.0° |
| N | C7 | C4 | 119.0° | 120.0° |
| C7 | C6 | C5 | 118.6° | 120.0° |
| C6 | C7 | C4 | 121.9° | 120.0° |
| C7 | C6 | H5 | 120.7° | 120.0° |
| C6 | C5 | C2 | 121.2° | 120.0° |
| C6 | C5 | H4 | 119.4° | 120.0° |
| C5 | C6 | H5 | 120.7° | 120.0° |
| C11 | C12 | O2 | 122.3° | 120.0° |
| C12 | C11 | C10 | 109.3° | 109.4° |
| C12 | C11 | C26 | 111.7° | 109.4° |
| C12 | C11 | H24 | 108.3° | 109.3° |
| C7 | C4 | C3 | 118.5° | 120.0° |
| C7 | C4 | H3 | 120.8° | 120.0° |
| C11 | C10 | N2 | 110.6° | 108.5° |
| C10 | C11 | C26 | 110.8° | 110.0° |
| C11 | C10 | H6 | 109.2° | 109.6° |
| C11 | C10 | H7 | 109.2° | 109.6° |
| C10 | C11 | H24 | 108.3° | 109.4° |
| C10 | N2 | C9 | 111.4° | 111.0° |
| C10 | N2 | C22 | 109.6° | 110.2° |
| N2 | C10 | H6 | 109.2° | 109.6° |
| N2 | C10 | H7 | 109.2° | 109.6° |
| C11 | C26 | C27 | 120.4° | 118.5° |
| C11 | C26 | C23 | 120.1° | 121.6° |
| C26 | C11 | H24 | 108.4° | 109.4° |
| C5 | C2 | C3 | 118.5° | 120.0° |
| C5 | C2 | C1 | 120.8° | 120.0° |
| C2 | C5 | H4 | 119.4° | 120.0° |
| C4 | C3 | C2 | 121.3° | 120.0° |
| C3 | C4 | H3 | 120.7° | 120.0° |
| C4 | C3 | H15 | 119.4° | 120.0° |
| N2 | C9 | C8 | 116.9° | 109.5° |
| C9 | N2 | C22 | 112.3° | 111.0° |
| N2 | C9 | H19 | 107.6° | 109.5° |
| N2 | C9 | H20 | 107.6° | 109.5° |
| C9 | C8 | O3 | 120.1° | 120.0° |
| C9 | C8 | N1 | 117.7° | 120.0° |
| C8 | C9 | H19 | 107.6° | 109.4° |
| C8 | C9 | H20 | 107.6° | 109.5° |
| N2 | C22 | C23 | 112.1° | 110.5° |
| N2 | C22 | H11 | 108.8° | 109.3° |
| N2 | C22 | H12 | 108.8° | 109.2° |
| O3 | C8 | N1 | 122.2° | 120.0° |
| C27 | C26 | C23 | 119.3° | 119.9° |
| C26 | C27 | C28 | 119.8° | 120.3° |
| C26 | C27 | H22 | 120.1° | 119.8° |
| C26 | C23 | C22 | 121.2° | 121.8° |
| C26 | C23 | C24 | 119.1° | 119.8° |
| C8 | N1 | C1 | 121.9° | 120.0° |
| C8 | N1 | H1 | 119.1° | 120.0° |
| C27 | C28 | CL | 119.1° | 120.1° |
| C27 | C28 | C25 | 121.5° | 119.8° |
| C28 | C27 | H22 | 120.1° | 119.9° |
| C3 | C2 | C1 | 120.7° | 120.0° |
| C2 | C3 | H15 | 119.4° | 120.0° |
| C2 | C1 | N1 | 112.1° | 109.4° |
| C2 | C1 | C | 112.6° | 109.5° |
| C2 | C1 | H14 | 107.1° | 109.5° |
| N1 | C1 | C | 110.1° | 109.5° |
| C1 | N1 | H1 | 119.0° | 120.0° |
| N1 | C1 | H14 | 107.7° | 109.5° |
| C22 | C23 | C24 | 119.7° | 118.4° |
| C23 | C22 | H11 | 108.8° | 109.3° |
| C23 | C22 | H12 | 108.8° | 109.4° |
| C23 | C24 | C25 | 121.3° | 120.4° |
| C23 | C24 | H13 | 119.4° | 119.8° |
| C | C1 | H14 | 107.0° | 109.5° |
| C1 | C | H16 | 109.5° | 109.4° |
| C1 | C | H17 | 109.5° | 109.5° |
| C1 | C | H18 | 109.5° | 109.4° |
| CL | C28 | C25 | 119.4° | 120.1° |
| C28 | C25 | C24 | 118.9° | 119.8° |
| C28 | C25 | H23 | 120.6° | 120.1° |
| C25 | C24 | H13 | 119.4° | 119.8° |
| C24 | C25 | H23 | 120.5° | 120.1° |
| H6 | C10 | H7 | 109.5° | 109.8° |
| H11 | C22 | H12 | 109.5° | 109.3° |
| H16 | C | H17 | 109.4° | 109.5° |
| H16 | C | H18 | 109.5° | 109.5° |
| H17 | C | H18 | 109.5° | 109.5° |
| H19 | C9 | H20 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | C16 | H9 | 180.0° | 180.0° |
| C17 | C18 | C19 | H26 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 177.6° | 180.0° |
| C18 | C17 | C16 | C21 | 0.8° | 0.0° |
| C17 | C18 | C19 | C20 | 0.2° | 0.0° |
| C17 | C18 | C19 | H25 | 179.8° | 180.0° |
| C16 | C17 | C18 | C19 | 0.8° | 0.0° |
| C17 | C16 | C15 | C21 | 178.4° | 180.0° |
| C17 | C16 | C15 | N4 | 178.0° | 179.8° |
| C17 | C16 | C21 | C20 | 0.2° | 0.0° |
| C17 | C16 | C21 | C13 | 178.6° | 180.0° |
| C17 | C16 | C15 | H8 | 1.9° | 0.1° |
| C16 | C17 | C18 | H26 | 179.2° | 180.0° |
| C18 | C19 | C20 | H25 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.4° | 0.0° |
| C19 | C18 | C17 | H9 | 179.2° | 180.0° |
| C18 | C19 | C20 | H10 | 179.6° | 180.0° |
| C16 | C15 | N4 | H8 | 180.0° | 179.8° |
| C16 | C15 | N4 | C14 | 0.5° | 0.2° |
| C15 | C16 | C21 | C20 | 178.3° | 180.0° |
| C15 | C16 | C21 | C13 | 0.2° | 0.0° |
| C15 | C16 | C17 | H9 | 2.4° | 0.0° |
| N4 | C15 | C16 | C21 | 0.4° | 0.2° |
| C15 | N4 | C14 | C13 | 0.0° | 0.0° |
| C15 | N4 | C14 | H27 | 180.0° | 179.9° |
| C16 | C21 | C20 | C19 | 0.4° | 0.0° |
| C16 | C21 | C20 | C13 | 178.4° | 180.0° |
| C16 | C21 | C13 | C14 | 0.6° | 0.3° |
| C16 | C21 | C13 | N3 | 176.1° | 180.0° |
| C21 | C16 | C15 | H8 | 179.7° | 179.9° |
| C21 | C16 | C17 | H9 | 179.2° | 180.0° |
| C16 | C21 | C20 | H10 | 179.6° | 180.0° |
| C19 | C20 | C21 | H10 | 180.0° | 179.9° |
| C19 | C20 | C21 | C13 | 178.0° | 180.0° |
| C20 | C19 | C18 | H26 | 179.8° | 180.0° |
| N4 | C14 | C13 | C21 | 0.5° | 0.3° |
| N4 | C14 | C13 | H27 | 180.0° | 180.0° |
| N4 | C14 | C13 | N3 | 176.0° | 179.9° |
| C14 | N4 | C15 | H8 | 179.6° | 179.9° |
| C20 | C21 | C13 | C14 | 177.8° | 179.7° |
| C20 | C21 | C13 | N3 | 5.6° | 0.0° |
| C21 | C20 | C19 | H25 | 179.6° | 180.0° |
| C21 | C13 | C14 | N3 | 176.4° | 179.8° |
| C21 | C13 | N3 | C12 | 103.7° | 145.1° |
| C21 | C13 | N3 | H2 | 76.3° | 34.8° |
| C13 | C21 | C20 | H10 | 2.0° | 0.0° |
| C21 | C13 | C14 | H27 | 179.5° | 179.7° |
| C14 | C13 | N3 | C12 | 72.7° | 34.6° |
| C14 | C13 | N3 | H2 | 107.3° | 145.4° |
| C13 | N3 | C12 | H2 | 180.0° | 180.0° |
| C13 | N3 | C12 | C11 | 176.6° | 175.6° |
| C13 | N3 | C12 | O2 | 0.6° | 4.4° |
| N3 | C13 | C14 | H27 | 4.0° | 0.1° |
| O | N | O1 | C7 | 179.6° | 180.0° |
| O | N | C7 | C6 | 3.8° | 180.0° |
| O | N | C7 | C4 | 178.3° | 0.0° |
| N3 | C12 | C11 | O2 | 177.2° | 180.0° |
| N3 | C12 | C11 | C10 | 76.8° | 180.0° |
| N3 | C12 | C11 | C26 | 160.2° | 59.5° |
| N3 | C12 | C11 | H24 | 40.9° | 60.2° |
| O1 | N | C7 | C6 | 175.9° | 0.0° |
| O1 | N | C7 | C4 | 2.1° | 180.0° |
| N | C7 | C6 | C4 | 177.9° | 180.0° |
| N | C7 | C6 | C5 | 177.1° | 180.0° |
| N | C7 | C4 | C3 | 176.4° | 179.9° |
| N | C7 | C4 | H3 | 3.6° | 0.2° |
| N | C7 | C6 | H5 | 2.9° | 0.1° |
| C7 | C6 | C5 | H5 | 180.0° | 179.9° |
| C7 | C6 | C5 | C2 | 0.4° | 0.3° |
| C6 | C7 | C4 | C3 | 1.4° | 0.0° |
| C6 | C7 | C4 | H3 | 178.6° | 179.8° |
| C7 | C6 | C5 | H4 | 179.6° | 179.7° |
| C5 | C6 | C7 | C4 | 0.8° | 0.0° |
| C6 | C5 | C2 | H4 | 180.0° | 179.9° |
| C6 | C5 | C2 | C3 | 0.9° | 0.6° |
| C6 | C5 | C2 | C1 | 179.5° | 180.0° |
| C12 | C11 | C10 | C26 | 123.5° | 120.2° |
| C12 | C11 | C10 | H24 | 117.7° | 119.7° |
| C12 | C11 | C10 | N2 | 73.2° | 69.7° |
| C12 | C11 | C26 | H24 | 119.2° | 119.7° |
| C12 | C11 | C26 | C27 | 74.8° | 76.5° |
| C12 | C11 | C26 | C23 | 101.3° | 103.2° |
| C11 | C12 | N3 | H2 | 3.4° | 4.4° |
| C12 | C11 | C10 | H6 | 46.9° | 170.5° |
| C12 | C11 | C10 | H7 | 166.6° | 50.0° |
| O2 | C12 | C11 | C10 | 100.4° | 0.0° |
| O2 | C12 | C11 | C26 | 22.6° | 120.5° |
| O2 | C12 | N3 | H2 | 179.4° | 175.6° |
| O2 | C12 | C11 | H24 | 141.9° | 119.7° |
| C7 | C4 | C3 | H3 | 180.0° | 179.8° |
| C7 | C4 | C3 | C2 | 0.9° | 0.2° |
| C4 | C7 | C6 | H5 | 179.2° | 179.9° |
| C7 | C4 | C3 | H15 | 179.1° | 179.7° |
| C11 | C10 | N2 | H6 | 120.2° | 119.7° |
| C11 | C10 | N2 | H7 | 120.2° | 119.7° |
| C10 | C11 | C26 | H24 | 118.7° | 120.1° |
| C11 | C10 | N2 | C9 | 167.1° | 165.3° |
| C11 | C10 | N2 | C22 | 68.1° | 71.3° |
| C10 | C11 | C26 | C27 | 163.1° | 163.3° |
| C10 | C11 | C26 | C23 | 20.8° | 17.0° |
| C11 | C10 | H6 | H7 | 119.5° | 120.5° |
| N2 | C10 | C11 | C26 | 50.3° | 50.4° |
| C10 | N2 | C9 | C22 | 123.4° | 122.9° |
| C10 | N2 | C9 | C8 | 144.4° | 170.0° |
| C10 | N2 | C22 | C23 | 52.7° | 52.6° |
| N2 | C10 | H6 | H7 | 119.5° | 120.5° |
| C10 | N2 | C22 | H11 | 173.1° | 172.9° |
| C10 | N2 | C22 | H12 | 67.7° | 67.7° |
| C10 | N2 | C9 | H19 | 23.3° | 70.0° |
| C10 | N2 | C9 | H20 | 94.5° | 50.0° |
| N2 | C10 | C11 | H24 | 169.0° | 170.5° |
| C11 | C26 | C27 | C23 | 176.0° | 179.7° |
| C11 | C26 | C27 | C28 | 173.2° | 179.6° |
| C11 | C26 | C23 | C22 | 8.2° | 0.6° |
| C11 | C26 | C23 | C24 | 172.4° | 179.5° |
| C26 | C11 | C10 | H6 | 170.4° | 69.3° |
| C26 | C11 | C10 | H7 | 69.9° | 170.1° |
| C11 | C26 | C27 | H22 | 6.8° | 0.5° |
| C5 | C2 | C3 | C4 | 0.2° | 0.5° |
| C5 | C2 | C3 | C1 | 179.7° | 179.4° |
| C5 | C2 | C1 | N1 | 37.7° | 140.0° |
| C5 | C2 | C1 | C | 87.1° | 100.0° |
| C2 | C5 | C6 | H5 | 179.6° | 179.8° |
| C5 | C2 | C1 | H14 | 155.6° | 20.0° |
| C5 | C2 | C3 | H15 | 179.8° | 179.4° |
| C4 | C3 | C2 | H15 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 179.9° | 179.9° |
| N2 | C9 | C8 | H19 | 121.1° | 120.0° |
| N2 | C9 | C8 | H20 | 121.1° | 120.0° |
| N2 | C9 | C8 | O3 | 178.1° | 0.0° |
| N2 | C9 | C8 | N1 | 2.2° | 180.0° |
| C9 | N2 | C22 | C23 | 177.0° | 176.0° |
| C9 | N2 | C10 | H6 | 46.9° | 74.9° |
| C9 | N2 | C10 | H7 | 72.8° | 45.6° |
| C9 | N2 | C22 | H11 | 62.6° | 63.8° |
| C9 | N2 | C22 | H12 | 56.6° | 55.7° |
| N2 | C9 | H19 | H20 | 116.6° | 120.0° |
| C8 | C9 | N2 | C22 | 92.2° | 67.0° |
| C9 | C8 | O3 | N1 | 179.7° | 180.0° |
| C9 | C8 | N1 | C1 | 178.4° | 180.0° |
| C9 | C8 | N1 | H1 | 1.6° | 0.2° |
| C8 | C9 | H19 | H20 | 116.6° | 120.0° |
| N2 | C22 | C23 | C26 | 23.6° | 17.7° |
| N2 | C22 | C23 | H11 | 120.4° | 120.2° |
| N2 | C22 | C23 | H12 | 120.4° | 120.2° |
| N2 | C22 | C23 | C24 | 157.0° | 162.3° |
| C22 | N2 | C10 | H6 | 171.7° | 48.4° |
| C22 | N2 | C10 | H7 | 52.1° | 169.0° |
| N2 | C22 | H11 | H12 | 118.8° | 119.4° |
| C22 | N2 | C9 | H19 | 146.7° | 52.9° |
| C22 | N2 | C9 | H20 | 28.9° | 172.9° |
| O3 | C8 | N1 | C1 | 2.0° | 0.0° |
| O3 | C8 | N1 | H1 | 178.0° | 179.8° |
| O3 | C8 | C9 | H19 | 57.0° | 120.0° |
| O3 | C8 | C9 | H20 | 60.8° | 120.0° |
| C26 | C27 | C28 | H22 | 180.0° | 179.9° |
| C27 | C26 | C23 | C22 | 175.7° | 179.7° |
| C27 | C26 | C23 | C24 | 3.7° | 0.2° |
| C26 | C27 | C28 | CL | 179.8° | 180.0° |
| C26 | C27 | C28 | C25 | 0.0° | 0.0° |
| C27 | C26 | C11 | H24 | 44.4° | 43.2° |
| C23 | C26 | C27 | C28 | 2.8° | 0.2° |
| C26 | C23 | C22 | C24 | 179.4° | 179.9° |
| C26 | C23 | C24 | C25 | 1.8° | 0.2° |
| C26 | C23 | C22 | H11 | 144.0° | 138.0° |
| C26 | C23 | C22 | H12 | 96.8° | 102.4° |
| C26 | C23 | C24 | H13 | 178.2° | 179.8° |
| C23 | C26 | C27 | H22 | 177.2° | 179.8° |
| C23 | C26 | C11 | H24 | 139.6° | 137.1° |
| C8 | N1 | C1 | C2 | 80.9° | 155.3° |
| C8 | N1 | C1 | H1 | 180.0° | 179.8° |
| C8 | N1 | C1 | C | 152.9° | 84.8° |
| C8 | N1 | C1 | H14 | 36.6° | 35.2° |
| N1 | C8 | C9 | H19 | 123.3° | 60.0° |
| N1 | C8 | C9 | H20 | 118.9° | 59.9° |
| C27 | C28 | CL | C25 | 179.8° | 180.0° |
| C27 | C28 | C25 | C24 | 1.9° | 0.1° |
| C27 | C28 | C25 | H23 | 178.1° | 179.8° |
| C3 | C2 | C1 | N1 | 142.0° | 39.4° |
| C3 | C2 | C1 | C | 93.3° | 80.5° |
| C2 | C3 | C4 | H3 | 179.1° | 180.0° |
| C3 | C2 | C5 | H4 | 179.1° | 179.5° |
| C3 | C2 | C1 | H14 | 24.1° | 159.4° |
| C2 | C1 | N1 | C | 126.1° | 120.0° |
| C2 | C1 | N1 | H14 | 117.6° | 120.0° |
| C2 | C1 | C | H14 | 117.4° | 120.1° |
| C2 | C1 | N1 | H1 | 99.1° | 24.9° |
| C1 | C2 | C5 | H4 | 0.5° | 0.0° |
| C1 | C2 | C3 | H15 | 0.1° | 0.0° |
| C2 | C1 | C | H16 | 180.0° | 60.0° |
| C2 | C1 | C | H17 | 60.0° | 60.0° |
| C2 | C1 | C | H18 | 60.0° | 179.9° |
| N1 | C1 | C | H14 | 116.7° | 120.0° |
| N1 | C1 | C | H16 | 54.2° | 60.0° |
| N1 | C1 | C | H17 | 65.8° | 180.0° |
| N1 | C1 | C | H18 | 174.2° | 60.0° |
| C22 | C23 | C24 | C25 | 177.6° | 179.7° |
| C23 | C22 | H11 | H12 | 118.8° | 119.6° |
| C22 | C23 | C24 | H13 | 2.4° | 0.2° |
| C23 | C24 | C25 | C28 | 1.0° | 0.0° |
| C23 | C24 | C25 | H13 | 180.0° | 180.0° |
| C24 | C23 | C22 | H11 | 36.6° | 42.1° |
| C24 | C23 | C22 | H12 | 82.6° | 77.5° |
| C23 | C24 | C25 | H23 | 179.0° | 179.9° |
| C | C1 | N1 | H1 | 27.0° | 95.0° |
| C1 | C | H16 | H17 | 120.0° | 120.0° |
| C1 | C | H16 | H18 | 120.0° | 120.0° |
| C1 | C | H17 | H18 | 120.0° | 120.0° |
| CL | C28 | C25 | C24 | 177.9° | 179.9° |
| CL | C28 | C27 | H22 | 0.1° | 0.1° |
| CL | C28 | C25 | H23 | 2.1° | 0.2° |
| C28 | C25 | C24 | H23 | 180.0° | 179.9° |
| C28 | C25 | C24 | H13 | 179.0° | 180.0° |
| C25 | C28 | C27 | H22 | 179.9° | 179.9° |
| H1 | N1 | C1 | H14 | 143.4° | 145.0° |
| H3 | C4 | C3 | H15 | 0.9° | 0.1° |
| H4 | C5 | C6 | H5 | 0.4° | 0.2° |
| H6 | C10 | C11 | H24 | 70.8° | 50.8° |
| H7 | C10 | C11 | H24 | 48.8° | 69.8° |
| H9 | C17 | C18 | H26 | 0.8° | 0.1° |
| H10 | C20 | C19 | H25 | 0.4° | 0.1° |
| H13 | C24 | C25 | H23 | 1.0° | 0.1° |
| H14 | C1 | C | H16 | 62.6° | 180.0° |
| H14 | C1 | C | H17 | 177.5° | 60.0° |
| H14 | C1 | C | H18 | 57.5° | 60.0° |
| H16 | C | H17 | H18 | 120.0° | 120.0° |
| H25 | C19 | C18 | H26 | 0.2° | 0.0° |
