A1JKT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N | sing | 1.47Å | 1.46Å | |
| C1 | N | sing | 1.46Å | 1.47Å | |
| C2 | C1 | sing | 1.53Å | 1.55Å | |
| C3 | C2 | sing | 1.51Å | 1.50Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C6 | sing | 1.48Å | 1.48Å | |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| N | C15 | sing | 1.39Å | 1.38Å | |
| C15 | N1 | doub | 1.30Å | 1.32Å | Aromatic |
| N1 | C16 | sing | 1.32Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.51Å | 1.50Å | |
| C17 | N2 | sing | 1.47Å | 1.47Å | |
| N2 | C18 | sing | 1.47Å | 1.47Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C20 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | doub | 1.40Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C26 | C25 | sing | 1.51Å | 1.51Å | |
| N2 | C26 | sing | 1.47Å | 1.47Å | |
| C23 | C27 | sing | 1.48Å | 1.49Å | |
| C27 | O | doub | 1.22Å | 1.24Å | |
| O1 | C27 | sing | 1.35Å | 1.30Å | |
| C28 | C16 | doub | 1.33Å | 1.35Å | Aromatic |
| S | C28 | sing | 1.76Å | 1.72Å | Aromatic |
| C15 | S | sing | 1.71Å | 1.75Å | Aromatic |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C13 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.08Å | 1.08Å | |
| C22 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| O1 | H27 | sing | 0.97Å | 0.95Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N | C1 | 115.7° | 120.0° |
| C | N | C15 | 121.3° | 120.0° |
| N | C | H | 109.5° | 109.4° |
| N | C | H1 | 109.5° | 109.5° |
| N | C | H2 | 109.5° | 109.5° |
| N | C1 | C2 | 113.3° | 109.4° |
| C1 | N | C15 | 123.0° | 120.0° |
| N | C1 | H3 | 108.5° | 109.5° |
| N | C1 | H4 | 108.5° | 109.5° |
| C1 | C2 | C3 | 106.3° | 109.5° |
| C2 | C1 | H3 | 108.5° | 109.5° |
| C2 | C1 | H4 | 108.5° | 109.5° |
| C1 | C2 | H5 | 110.3° | 109.5° |
| C1 | C2 | H6 | 110.3° | 109.4° |
| C2 | C3 | C4 | 120.4° | 119.9° |
| C2 | C3 | C8 | 121.2° | 119.8° |
| C3 | C2 | H5 | 110.3° | 109.5° |
| C3 | C2 | H6 | 110.3° | 109.5° |
| C3 | C4 | C5 | 121.1° | 120.1° |
| C4 | C3 | C8 | 118.4° | 120.3° |
| C3 | C4 | H7 | 119.4° | 120.0° |
| C4 | C5 | C6 | 121.0° | 119.9° |
| C4 | C5 | H8 | 119.5° | 120.0° |
| C5 | C4 | H7 | 119.5° | 119.9° |
| C5 | C6 | C7 | 117.7° | 119.7° |
| C5 | C6 | C9 | 120.5° | 120.1° |
| C6 | C5 | H8 | 119.5° | 120.1° |
| C6 | C7 | C8 | 121.1° | 119.9° |
| C7 | C6 | C9 | 121.7° | 120.2° |
| C6 | C7 | H9 | 119.5° | 120.0° |
| C7 | C8 | C3 | 120.7° | 120.1° |
| C8 | C7 | H9 | 119.5° | 120.1° |
| C7 | C8 | H10 | 119.6° | 119.9° |
| C3 | C8 | H10 | 119.7° | 120.0° |
| C6 | C9 | C10 | 122.9° | 120.1° |
| C6 | C9 | C14 | 118.8° | 120.1° |
| C9 | C10 | C11 | 120.5° | 119.8° |
| C10 | C9 | C14 | 118.3° | 119.8° |
| C9 | C10 | H11 | 119.8° | 120.1° |
| C10 | C11 | C12 | 120.6° | 120.1° |
| C11 | C10 | H11 | 119.7° | 120.1° |
| C10 | C11 | H12 | 119.7° | 119.9° |
| C11 | C12 | C13 | 119.7° | 120.2° |
| C12 | C11 | H12 | 119.7° | 120.0° |
| C11 | C12 | H13 | 120.1° | 119.8° |
| C12 | C13 | C14 | 120.0° | 120.2° |
| C13 | C12 | H13 | 120.2° | 119.9° |
| C12 | C13 | H14 | 120.0° | 119.9° |
| C13 | C14 | C9 | 120.9° | 119.8° |
| C14 | C13 | H14 | 120.0° | 120.0° |
| C13 | C14 | H15 | 119.6° | 120.1° |
| C9 | C14 | H15 | 119.5° | 120.1° |
| N | C15 | N1 | 124.1° | 124.9° |
| N | C15 | S | 121.7° | 124.9° |
| C15 | N1 | C16 | 110.6° | 116.8° |
| N1 | C15 | S | 114.2° | 110.1° |
| N1 | C16 | C17 | 122.3° | 122.7° |
| N1 | C16 | C28 | 115.3° | 114.6° |
| C16 | C17 | N2 | 117.5° | 109.4° |
| C17 | C16 | C28 | 122.4° | 122.7° |
| C16 | C17 | H16 | 107.4° | 109.5° |
| C16 | C17 | H17 | 107.4° | 109.5° |
| C17 | N2 | C18 | 111.0° | 111.0° |
| C17 | N2 | C26 | 111.8° | 111.0° |
| N2 | C17 | H16 | 107.4° | 109.5° |
| N2 | C17 | H17 | 107.4° | 109.5° |
| N2 | C18 | C19 | 111.5° | 108.5° |
| C18 | N2 | C26 | 111.7° | 110.2° |
| N2 | C18 | H18 | 109.0° | 109.6° |
| N2 | C18 | H19 | 109.0° | 109.8° |
| C18 | C19 | C20 | 111.7° | 110.0° |
| C18 | C19 | H20 | 108.9° | 109.4° |
| C18 | C19 | H21 | 108.9° | 109.3° |
| C19 | C18 | H18 | 109.0° | 109.6° |
| C19 | C18 | H19 | 108.9° | 109.7° |
| C19 | C20 | C21 | 120.3° | 118.3° |
| C19 | C20 | C25 | 120.6° | 121.6° |
| C20 | C19 | H20 | 108.9° | 109.4° |
| C20 | C19 | H21 | 108.9° | 109.4° |
| C20 | C21 | C22 | 120.9° | 120.5° |
| C21 | C20 | C25 | 119.0° | 120.1° |
| C20 | C21 | H22 | 119.5° | 119.7° |
| C21 | C22 | C23 | 120.4° | 119.7° |
| C22 | C21 | H22 | 119.5° | 119.8° |
| C21 | C22 | H23 | 119.8° | 120.1° |
| C22 | C23 | C24 | 119.0° | 119.5° |
| C22 | C23 | C27 | 120.1° | 120.2° |
| C23 | C22 | H23 | 119.8° | 120.1° |
| C23 | C24 | C25 | 121.5° | 120.2° |
| C24 | C23 | C27 | 120.9° | 120.3° |
| C23 | C24 | H24 | 119.2° | 119.9° |
| C24 | C25 | C20 | 119.0° | 119.9° |
| C24 | C25 | C26 | 119.3° | 118.2° |
| C25 | C24 | H24 | 119.2° | 119.9° |
| C20 | C25 | C26 | 121.7° | 121.9° |
| C25 | C26 | N2 | 112.7° | 110.5° |
| C25 | C26 | H25 | 108.7° | 109.3° |
| C25 | C26 | H26 | 108.6° | 109.3° |
| N2 | C26 | H25 | 108.7° | 109.3° |
| N2 | C26 | H26 | 108.7° | 109.2° |
| C23 | C27 | O | 120.6° | 120.0° |
| C23 | C27 | O1 | 116.3° | 120.0° |
| O | C27 | O1 | 123.1° | 120.0° |
| C27 | O1 | H27 | 109.5° | 116.9° |
| C16 | C28 | S | 110.8° | 108.1° |
| C16 | C28 | H28 | 124.6° | 126.0° |
| C28 | S | C15 | 89.1° | 90.3° |
| S | C28 | H28 | 124.6° | 125.9° |
| H3 | C1 | H4 | 109.5° | 109.5° |
| H5 | C2 | H6 | 109.4° | 109.5° |
| H20 | C19 | H21 | 109.4° | 109.4° |
| H18 | C18 | H19 | 109.5° | 109.6° |
| H25 | C26 | H26 | 109.4° | 109.2° |
| H16 | C17 | H17 | 109.4° | 109.5° |
| H | C | H1 | 109.5° | 109.4° |
| H | C | H2 | 109.5° | 109.4° |
| H1 | C | H2 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N | C1 | C15 | 179.1° | 179.9° |
| C | N | C1 | C2 | 81.3° | 90.1° |
| C | N | C15 | N1 | 160.1° | 0.1° |
| C | N | C15 | S | 21.0° | 179.8° |
| C | N | C1 | H3 | 158.1° | 150.0° |
| C | N | C1 | H4 | 39.2° | 29.9° |
| N | C | H | H1 | 120.0° | 120.0° |
| N | C | H | H2 | 120.0° | 120.0° |
| N | C | H1 | H2 | 120.0° | 120.1° |
| N | C1 | C2 | H3 | 120.6° | 120.0° |
| N | C1 | C2 | H4 | 120.5° | 120.0° |
| N | C1 | C2 | C3 | 51.2° | 180.0° |
| C1 | N | C15 | N1 | 20.9° | 180.0° |
| C1 | N | C15 | S | 158.0° | 0.3° |
| N | C1 | H3 | H4 | 118.3° | 120.1° |
| N | C1 | C2 | H5 | 170.7° | 60.0° |
| N | C1 | C2 | H6 | 68.3° | 60.0° |
| C1 | N | C | H | 180.0° | 90.1° |
| C1 | N | C | H1 | 60.0° | 150.0° |
| C1 | N | C | H2 | 60.0° | 29.9° |
| C1 | C2 | C3 | H5 | 119.5° | 120.0° |
| C1 | C2 | C3 | H6 | 119.5° | 120.0° |
| C1 | C2 | C3 | C4 | 89.9° | 90.0° |
| C1 | C2 | C3 | C8 | 88.4° | 89.7° |
| C2 | C1 | N | C15 | 97.7° | 90.0° |
| C2 | C1 | H3 | H4 | 118.3° | 120.0° |
| C1 | C2 | H5 | H6 | 121.5° | 119.9° |
| C2 | C3 | C4 | C8 | 178.4° | 179.7° |
| C2 | C3 | C4 | C5 | 178.6° | 180.0° |
| C2 | C3 | C8 | C7 | 179.0° | 179.9° |
| C3 | C2 | C1 | H3 | 69.3° | 60.0° |
| C3 | C2 | C1 | H4 | 171.8° | 60.0° |
| C3 | C2 | H5 | H6 | 121.5° | 120.1° |
| C2 | C3 | C8 | H10 | 1.0° | 0.0° |
| C2 | C3 | C4 | H7 | 1.4° | 0.0° |
| C3 | C4 | C5 | H7 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.0° | 0.0° |
| C4 | C3 | C8 | C7 | 0.7° | 0.3° |
| C4 | C3 | C2 | H5 | 150.6° | 30.0° |
| C4 | C3 | C2 | H6 | 29.6° | 150.0° |
| C4 | C3 | C8 | H10 | 179.3° | 179.8° |
| C3 | C4 | C5 | H8 | 179.0° | 179.9° |
| C4 | C5 | C6 | H8 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 1.7° | 0.2° |
| C5 | C4 | C3 | C8 | 0.2° | 0.3° |
| C4 | C5 | C6 | C9 | 178.3° | 180.0° |
| C5 | C6 | C7 | C9 | 176.5° | 179.8° |
| C5 | C6 | C7 | C8 | 1.2° | 0.2° |
| C5 | C6 | C9 | C10 | 134.6° | 0.3° |
| C5 | C6 | C9 | C14 | 48.0° | 180.0° |
| C5 | C6 | C7 | H9 | 178.8° | 179.8° |
| C6 | C5 | C4 | H7 | 179.0° | 180.0° |
| C6 | C7 | C8 | H9 | 180.0° | 180.0° |
| C6 | C7 | C8 | C3 | 0.1° | 0.1° |
| C7 | C6 | C9 | C10 | 49.0° | 180.0° |
| C7 | C6 | C9 | C14 | 128.4° | 0.2° |
| C6 | C7 | C8 | H10 | 180.0° | 180.0° |
| C7 | C6 | C5 | H8 | 178.3° | 179.7° |
| C7 | C8 | C3 | H10 | 180.0° | 179.9° |
| C8 | C7 | C6 | C9 | 177.8° | 180.0° |
| C8 | C3 | C2 | H5 | 31.1° | 150.3° |
| C8 | C3 | C2 | H6 | 152.1° | 30.3° |
| C3 | C8 | C7 | H9 | 180.0° | 179.9° |
| C8 | C3 | C4 | H7 | 179.8° | 179.7° |
| C6 | C9 | C10 | C14 | 177.4° | 179.7° |
| C6 | C9 | C10 | C11 | 178.7° | 180.0° |
| C6 | C9 | C14 | C13 | 178.8° | 179.7° |
| C9 | C6 | C7 | H9 | 2.3° | 0.0° |
| C6 | C9 | C10 | H11 | 1.3° | 0.1° |
| C6 | C9 | C14 | H15 | 1.2° | 0.2° |
| C9 | C6 | C5 | H8 | 1.7° | 0.1° |
| C9 | C10 | C11 | H11 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.7° | 0.1° |
| C10 | C9 | C14 | C13 | 1.3° | 0.5° |
| C9 | C10 | C11 | H12 | 179.4° | 180.0° |
| C10 | C9 | C14 | H15 | 178.7° | 180.0° |
| C10 | C11 | C12 | H12 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.1° |
| C11 | C10 | C9 | C14 | 1.3° | 0.3° |
| C10 | C11 | C12 | H13 | 179.9° | 180.0° |
| C11 | C12 | C13 | H13 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.1° | 0.3° |
| C12 | C11 | C10 | H11 | 179.3° | 180.0° |
| C11 | C12 | C13 | H14 | 179.9° | 180.0° |
| C12 | C13 | C14 | H14 | 180.0° | 179.7° |
| C12 | C13 | C14 | C9 | 0.6° | 0.5° |
| C13 | C12 | C11 | H12 | 179.9° | 180.0° |
| C12 | C13 | C14 | H15 | 179.4° | 180.0° |
| C13 | C14 | C9 | H15 | 180.0° | 179.5° |
| C14 | C13 | C12 | H13 | 179.9° | 179.8° |
| C14 | C9 | C10 | H11 | 178.7° | 179.8° |
| C9 | C14 | C13 | H14 | 179.4° | 179.8° |
| N | C15 | N1 | S | 179.0° | 179.7° |
| N | C15 | N1 | C16 | 179.3° | 179.8° |
| N | C15 | S | C28 | 179.2° | 179.7° |
| C15 | N | C1 | H3 | 22.8° | 29.9° |
| C15 | N | C1 | H4 | 141.7° | 150.0° |
| C15 | N | C | H | 0.9° | 90.0° |
| C15 | N | C | H1 | 119.1° | 29.9° |
| C15 | N | C | H2 | 121.0° | 150.0° |
| C15 | N1 | C16 | C17 | 179.2° | 180.0° |
| C15 | N1 | C16 | C28 | 0.3° | 0.0° |
| N1 | C15 | S | C28 | 0.2° | 0.0° |
| N1 | C16 | C17 | C28 | 179.5° | 180.0° |
| N1 | C16 | C17 | N2 | 69.5° | 85.0° |
| N1 | C16 | C28 | S | 0.2° | 0.0° |
| C16 | N1 | C15 | S | 0.3° | 0.0° |
| N1 | C16 | C17 | H16 | 169.3° | 34.9° |
| N1 | C16 | C17 | H17 | 51.7° | 155.0° |
| N1 | C16 | C28 | H28 | 179.8° | 179.9° |
| C16 | C17 | N2 | H16 | 121.2° | 120.0° |
| C16 | C17 | N2 | H17 | 121.2° | 120.0° |
| C16 | C17 | N2 | C18 | 58.3° | 170.0° |
| C16 | C17 | N2 | C26 | 67.1° | 67.0° |
| C17 | C16 | C28 | S | 179.4° | 180.0° |
| C16 | C17 | H16 | H17 | 116.3° | 120.0° |
| C17 | C16 | C28 | H28 | 0.6° | 0.1° |
| C17 | N2 | C18 | C26 | 125.5° | 123.4° |
| C17 | N2 | C18 | C19 | 169.9° | 165.2° |
| C17 | N2 | C26 | C25 | 171.7° | 175.9° |
| N2 | C17 | C16 | C28 | 111.0° | 95.0° |
| C17 | N2 | C18 | H18 | 69.8° | 45.6° |
| C17 | N2 | C18 | H19 | 49.6° | 74.9° |
| C17 | N2 | C26 | H25 | 51.2° | 55.7° |
| C17 | N2 | C26 | H26 | 67.8° | 63.8° |
| N2 | C17 | H16 | H17 | 116.3° | 120.0° |
| N2 | C18 | C19 | H18 | 120.3° | 119.7° |
| N2 | C18 | C19 | H19 | 120.3° | 119.9° |
| N2 | C18 | C19 | C20 | 47.6° | 50.5° |
| C18 | N2 | C26 | C25 | 46.7° | 52.5° |
| N2 | C18 | C19 | H20 | 168.0° | 69.7° |
| N2 | C18 | C19 | H21 | 72.7° | 170.6° |
| N2 | C18 | H18 | H19 | 119.1° | 120.6° |
| C18 | N2 | C26 | H25 | 73.8° | 67.7° |
| C18 | N2 | C26 | H26 | 167.2° | 172.8° |
| C18 | N2 | C17 | H16 | 62.9° | 70.0° |
| C18 | N2 | C17 | H17 | 179.5° | 50.0° |
| C18 | C19 | C20 | H20 | 120.3° | 120.1° |
| C18 | C19 | C20 | H21 | 120.4° | 120.0° |
| C18 | C19 | C20 | C21 | 163.5° | 163.1° |
| C18 | C19 | C20 | C25 | 16.6° | 17.0° |
| C19 | C18 | N2 | C26 | 64.6° | 71.3° |
| C18 | C19 | H20 | H21 | 119.0° | 119.7° |
| C19 | C18 | H18 | H19 | 119.0° | 120.4° |
| C19 | C20 | C21 | C25 | 179.8° | 179.9° |
| C19 | C20 | C21 | C22 | 179.9° | 179.8° |
| C19 | C20 | C25 | C24 | 179.8° | 179.7° |
| C19 | C20 | C25 | C26 | 0.9° | 0.6° |
| C20 | C19 | H20 | H21 | 119.0° | 119.8° |
| C19 | C20 | C21 | H22 | 0.2° | 0.3° |
| C20 | C19 | C18 | H18 | 72.7° | 170.2° |
| C20 | C19 | C18 | H19 | 167.9° | 69.4° |
| C20 | C21 | C22 | H22 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.5° | 0.1° |
| C21 | C20 | C25 | C24 | 0.4° | 0.1° |
| C21 | C20 | C25 | C26 | 179.2° | 179.6° |
| C21 | C20 | C19 | H20 | 43.2° | 76.7° |
| C21 | C20 | C19 | H21 | 76.1° | 43.1° |
| C20 | C21 | C22 | H23 | 179.5° | 179.9° |
| C21 | C22 | C23 | H23 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.6° | 0.1° |
| C22 | C21 | C20 | C25 | 0.0° | 0.0° |
| C21 | C22 | C23 | C27 | 179.6° | 179.9° |
| C22 | C23 | C24 | C27 | 179.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.3° | 0.0° |
| C22 | C23 | C27 | O | 24.1° | 180.0° |
| C22 | C23 | C27 | O1 | 156.4° | 0.0° |
| C23 | C22 | C21 | H22 | 179.5° | 180.0° |
| C22 | C23 | C24 | H24 | 179.7° | 180.0° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | C20 | 0.2° | 0.1° |
| C23 | C24 | C25 | C26 | 179.1° | 179.6° |
| C24 | C23 | C27 | O | 154.9° | 0.1° |
| C24 | C23 | C27 | O1 | 24.7° | 179.9° |
| C24 | C23 | C22 | H23 | 179.4° | 179.9° |
| C24 | C25 | C20 | C26 | 178.8° | 179.7° |
| C24 | C25 | C26 | N2 | 165.6° | 162.7° |
| C25 | C24 | C23 | C27 | 179.2° | 180.0° |
| C24 | C25 | C26 | H25 | 73.9° | 77.0° |
| C24 | C25 | C26 | H26 | 45.1° | 42.4° |
| C20 | C25 | C26 | N2 | 15.6° | 17.6° |
| C25 | C20 | C19 | H20 | 137.0° | 103.1° |
| C25 | C20 | C19 | H21 | 103.7° | 137.0° |
| C25 | C20 | C21 | H22 | 180.0° | 179.9° |
| C20 | C25 | C24 | H24 | 179.8° | 179.8° |
| C20 | C25 | C26 | H25 | 104.9° | 102.6° |
| C20 | C25 | C26 | H26 | 136.1° | 137.9° |
| C25 | C26 | N2 | H25 | 120.5° | 120.3° |
| C25 | C26 | N2 | H26 | 120.5° | 120.3° |
| C26 | C25 | C24 | H24 | 0.9° | 0.5° |
| C25 | C26 | H25 | H26 | 118.5° | 119.5° |
| C26 | N2 | C18 | H18 | 55.6° | 169.0° |
| C26 | N2 | C18 | H19 | 175.1° | 48.5° |
| N2 | C26 | H25 | H26 | 118.5° | 119.5° |
| C26 | N2 | C17 | H16 | 171.7° | 52.9° |
| C26 | N2 | C17 | H17 | 54.1° | 173.0° |
| C23 | C27 | O | O1 | 179.5° | 180.0° |
| C27 | C23 | C22 | H23 | 0.4° | 0.0° |
| C27 | C23 | C24 | H24 | 0.8° | 0.1° |
| C23 | C27 | O1 | H27 | 179.5° | 180.0° |
| O | C27 | O1 | H27 | 0.0° | 0.1° |
| C16 | C28 | S | H28 | 180.0° | 179.9° |
| C16 | C28 | S | C15 | 0.0° | 0.0° |
| C28 | C16 | C17 | H16 | 10.2° | 145.1° |
| C28 | C16 | C17 | H17 | 127.8° | 25.0° |
| C15 | S | C28 | H28 | 180.0° | 179.9° |
| H3 | C1 | C2 | H5 | 50.2° | 60.0° |
| H3 | C1 | C2 | H6 | 171.2° | 180.0° |
| H4 | C1 | C2 | H5 | 68.7° | 180.0° |
| H4 | C1 | C2 | H6 | 52.3° | 60.0° |
| H9 | C7 | C8 | H10 | 0.0° | 0.0° |
| H11 | C10 | C11 | H12 | 0.6° | 0.1° |
| H12 | C11 | C12 | H13 | 0.1° | 0.1° |
| H13 | C12 | C13 | H14 | 0.1° | 0.1° |
| H14 | C13 | C14 | H15 | 0.6° | 0.2° |
| H20 | C19 | C18 | H18 | 47.7° | 50.0° |
| H20 | C19 | C18 | H19 | 71.7° | 170.4° |
| H21 | C19 | C18 | H18 | 166.9° | 69.7° |
| H21 | C19 | C18 | H19 | 47.5° | 50.6° |
| H22 | C21 | C22 | H23 | 0.5° | 0.0° |
| H | C | H1 | H2 | 120.0° | 120.0° |
| H8 | C5 | C4 | H7 | 1.0° | 0.0° |
