C9A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.47Å | 1.47Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C3 | N2 | sing | 1.47Å | 1.50Å | |
| N2 | C7 | sing | 1.47Å | 1.50Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | N5 | sing | 1.47Å | 1.50Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| N5 | C8 | sing | 1.39Å | 1.46Å | |
| N5 | C6 | sing | 1.47Å | 1.49Å | |
| C7 | C6 | sing | 1.53Å | 1.55Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | C9 | doub | 1.40Å | 1.44Å | Aromatic |
| C8 | C30 | sing | 1.39Å | 1.44Å | Aromatic |
| F10 | C9 | sing | 1.35Å | 1.34Å | |
| C9 | C11 | sing | 1.37Å | 1.41Å | Aromatic |
| C11 | C12 | doub | 1.40Å | 1.42Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C29 | sing | 1.41Å | 1.44Å | Aromatic |
| C12 | C13 | sing | 1.47Å | 1.50Å | |
| C13 | O14 | doub | 1.22Å | 1.22Å | |
| C13 | C15 | sing | 1.47Å | 1.50Å | |
| C16 | C15 | doub | 1.38Å | 1.36Å | |
| C15 | C31 | sing | 1.47Å | 1.49Å | |
| N17 | C16 | sing | 1.34Å | 1.41Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C29 | N17 | sing | 1.38Å | 1.47Å | |
| N17 | C18 | sing | 1.47Å | 1.50Å | |
| C18 | C19 | sing | 1.51Å | 1.54Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | C24 | doub | 1.38Å | 1.43Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.44Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | sing | 1.38Å | 1.42Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | C22 | doub | 1.38Å | 1.42Å | Aromatic |
| C22 | S25 | sing | 1.76Å | 1.76Å | |
| C24 | C23 | sing | 1.38Å | 1.42Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | S25 | sing | 1.81Å | 1.77Å | |
| S25 | O27 | doub | 1.42Å | 1.45Å | |
| S25 | O28 | doub | 1.42Å | 1.45Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C30 | C29 | doub | 1.39Å | 1.44Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| O32 | C31 | doub | 1.22Å | 1.23Å | |
| C31 | O33 | sing | 1.35Å | 1.39Å | |
| O33 | C34 | sing | 1.45Å | 1.45Å | |
| C34 | C35 | sing | 1.51Å | 1.52Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C35 | C41 | doub | 1.38Å | 1.43Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.43Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.42Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | C38 | sing | 1.38Å | 1.42Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C40 | C38 | doub | 1.38Å | 1.42Å | Aromatic |
| C38 | CL39 | sing | 1.74Å | 1.71Å | |
| C41 | C40 | sing | 1.38Å | 1.42Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C41 | H41 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | H1 | 109.5° | 109.5° |
| N2 | C1 | H1A | 109.5° | 109.4° |
| N2 | C1 | H1B | 109.4° | 109.5° |
| C1 | N2 | C3 | 110.6° | 111.0° |
| C1 | N2 | C7 | 109.6° | 111.0° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.4° |
| C3 | N2 | C7 | 110.8° | 110.9° |
| N2 | C3 | C4 | 112.2° | 109.4° |
| N2 | C3 | H3 | 108.6° | 109.5° |
| N2 | C3 | H3A | 108.5° | 109.5° |
| N2 | C7 | C6 | 112.6° | 109.4° |
| N2 | C7 | H7 | 108.5° | 109.5° |
| N2 | C7 | H7A | 108.5° | 109.5° |
| C4 | C3 | H3 | 108.6° | 109.5° |
| C4 | C3 | H3A | 108.6° | 109.4° |
| C3 | C4 | N5 | 110.1° | 109.3° |
| C3 | C4 | H4 | 109.2° | 109.5° |
| C3 | C4 | H4A | 109.2° | 109.5° |
| H3 | C3 | H3A | 110.4° | 109.5° |
| N5 | C4 | H4 | 109.3° | 109.5° |
| N5 | C4 | H4A | 109.2° | 109.4° |
| C4 | N5 | C8 | 110.3° | 111.0° |
| C4 | N5 | C6 | 112.6° | 110.9° |
| H4 | C4 | H4A | 109.7° | 109.5° |
| C8 | N5 | C6 | 116.1° | 111.0° |
| N5 | C8 | C9 | 123.3° | 119.7° |
| N5 | C8 | C30 | 120.9° | 119.8° |
| N5 | C6 | C7 | 109.6° | 109.3° |
| N5 | C6 | H6 | 109.4° | 109.5° |
| N5 | C6 | H6A | 109.4° | 109.5° |
| C7 | C6 | H6 | 109.4° | 109.5° |
| C7 | C6 | H6A | 109.4° | 109.5° |
| C6 | C7 | H7 | 108.4° | 109.5° |
| C6 | C7 | H7A | 108.4° | 109.5° |
| H6 | C6 | H6A | 109.5° | 109.5° |
| H7 | C7 | H7A | 110.5° | 109.5° |
| C9 | C8 | C30 | 115.8° | 120.5° |
| C8 | C9 | F10 | 121.0° | 119.8° |
| C8 | C9 | C11 | 122.5° | 120.3° |
| C8 | C30 | C29 | 123.8° | 119.9° |
| C8 | C30 | H30 | 118.1° | 120.0° |
| F10 | C9 | C11 | 116.5° | 119.8° |
| C9 | C11 | C12 | 119.9° | 119.8° |
| C9 | C11 | H11 | 120.0° | 120.1° |
| C12 | C11 | H11 | 120.1° | 120.1° |
| C11 | C12 | C29 | 121.7° | 120.3° |
| C11 | C12 | C13 | 119.1° | 121.1° |
| C29 | C12 | C13 | 119.2° | 118.6° |
| C12 | C29 | N17 | 118.7° | 120.3° |
| C12 | C29 | C30 | 116.3° | 119.2° |
| C12 | C13 | O14 | 119.3° | 121.4° |
| C12 | C13 | C15 | 120.0° | 117.2° |
| O14 | C13 | C15 | 120.7° | 121.4° |
| C13 | C15 | C16 | 116.0° | 118.9° |
| C13 | C15 | C31 | 121.6° | 120.5° |
| C16 | C15 | C31 | 122.4° | 120.5° |
| C15 | C16 | N17 | 127.0° | 122.2° |
| C15 | C16 | H16 | 116.5° | 118.9° |
| C15 | C31 | O32 | 123.4° | 120.0° |
| C15 | C31 | O33 | 111.2° | 120.0° |
| N17 | C16 | H16 | 116.5° | 118.9° |
| C16 | N17 | C29 | 119.1° | 122.8° |
| C16 | N17 | C18 | 119.9° | 118.6° |
| C29 | N17 | C18 | 120.9° | 118.6° |
| N17 | C29 | C30 | 124.9° | 120.5° |
| N17 | C18 | C19 | 113.3° | 109.5° |
| N17 | C18 | H18 | 108.2° | 109.4° |
| N17 | C18 | H18A | 108.3° | 109.4° |
| C19 | C18 | H18 | 108.2° | 109.5° |
| C19 | C18 | H18A | 108.2° | 109.5° |
| C18 | C19 | C24 | 120.0° | 120.0° |
| C18 | C19 | C20 | 122.1° | 120.0° |
| H18 | C18 | H18A | 110.7° | 109.5° |
| C24 | C19 | C20 | 117.9° | 120.0° |
| C19 | C24 | C23 | 120.9° | 120.0° |
| C19 | C24 | H24 | 119.6° | 120.0° |
| C19 | C20 | C21 | 121.3° | 120.0° |
| C19 | C20 | H20 | 119.3° | 120.0° |
| C21 | C20 | H20 | 119.4° | 120.0° |
| C20 | C21 | C22 | 119.5° | 120.0° |
| C20 | C21 | H21 | 120.3° | 120.0° |
| C22 | C21 | H21 | 120.2° | 120.0° |
| C21 | C22 | C23 | 120.7° | 120.0° |
| C21 | C22 | S25 | 119.0° | 120.0° |
| C23 | C22 | S25 | 120.3° | 120.0° |
| C22 | C23 | C24 | 119.7° | 120.0° |
| C22 | C23 | H23 | 120.2° | 120.0° |
| C22 | S25 | C26 | 103.7° | 104.5° |
| C22 | S25 | O27 | 108.2° | 104.3° |
| C22 | S25 | O28 | 107.5° | 104.3° |
| C24 | C23 | H23 | 120.2° | 120.0° |
| C23 | C24 | H24 | 119.5° | 120.0° |
| C26 | S25 | O27 | 107.2° | 110.5° |
| C26 | S25 | O28 | 108.6° | 110.5° |
| S25 | C26 | H26 | 109.5° | 109.5° |
| S25 | C26 | H26A | 109.5° | 109.5° |
| S25 | C26 | H26B | 109.5° | 109.4° |
| O27 | S25 | O28 | 120.4° | 121.0° |
| H26 | C26 | H26A | 109.4° | 109.5° |
| H26 | C26 | H26B | 109.5° | 109.5° |
| H26A | C26 | H26B | 109.5° | 109.5° |
| C29 | C30 | H30 | 118.1° | 120.1° |
| O32 | C31 | O33 | 125.5° | 120.0° |
| C31 | O33 | C34 | 117.7° | 117.0° |
| O33 | C34 | C35 | 110.2° | 109.5° |
| O33 | C34 | H34 | 109.2° | 109.4° |
| O33 | C34 | H34A | 109.3° | 109.5° |
| C35 | C34 | H34 | 109.2° | 109.5° |
| C35 | C34 | H34A | 109.2° | 109.5° |
| C34 | C35 | C41 | 120.3° | 120.0° |
| C34 | C35 | C36 | 120.8° | 120.0° |
| H34 | C34 | H34A | 109.7° | 109.4° |
| C41 | C35 | C36 | 118.9° | 120.0° |
| C35 | C41 | C40 | 120.7° | 120.0° |
| C35 | C41 | H41 | 119.6° | 120.0° |
| C35 | C36 | C37 | 120.4° | 120.0° |
| C35 | C36 | H36 | 119.8° | 120.0° |
| C37 | C36 | H36 | 119.8° | 120.0° |
| C36 | C37 | C38 | 119.8° | 120.0° |
| C36 | C37 | H37 | 120.1° | 120.0° |
| C38 | C37 | H37 | 120.1° | 120.0° |
| C37 | C38 | C40 | 120.5° | 119.9° |
| C37 | C38 | CL39 | 119.7° | 120.0° |
| C40 | C38 | CL39 | 119.7° | 120.0° |
| C38 | C40 | C41 | 119.6° | 120.0° |
| C38 | C40 | H40 | 120.2° | 120.0° |
| C41 | C40 | H40 | 120.2° | 120.0° |
| C40 | C41 | H41 | 119.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | H1 | H1A | 120.0° | 120.0° |
| N2 | C1 | H1 | H1B | 120.0° | 120.0° |
| N2 | C1 | H1A | H1B | 120.0° | 119.9° |
| C1 | N2 | C3 | C7 | 121.7° | 123.9° |
| C1 | N2 | C3 | C4 | 175.7° | 176.8° |
| C1 | N2 | C3 | H3 | 55.7° | 63.2° |
| C1 | N2 | C3 | H3A | 64.3° | 56.9° |
| C1 | N2 | C7 | C6 | 176.5° | 176.8° |
| C1 | N2 | C7 | H7 | 63.5° | 56.8° |
| C1 | N2 | C7 | H7A | 56.5° | 63.2° |
| H1 | C1 | H1A | H1B | 120.0° | 120.1° |
| H1 | C1 | N2 | C3 | 180.0° | 176.2° |
| H1 | C1 | N2 | C7 | 57.6° | 60.0° |
| H1A | C1 | N2 | C3 | 60.0° | 56.2° |
| H1A | C1 | N2 | C7 | 177.6° | 180.0° |
| H1B | C1 | N2 | C3 | 60.0° | 63.7° |
| H1B | C1 | N2 | C7 | 62.4° | 60.1° |
| N2 | C3 | C4 | H3 | 120.0° | 120.0° |
| N2 | C3 | C4 | H3A | 120.0° | 119.9° |
| N2 | C3 | H3 | H3A | 118.9° | 120.1° |
| N2 | C3 | C4 | N5 | 54.9° | 58.4° |
| N2 | C3 | C4 | H4 | 174.9° | 178.4° |
| N2 | C3 | C4 | H4A | 65.0° | 61.5° |
| C3 | N2 | C7 | C6 | 54.2° | 59.3° |
| C3 | N2 | C7 | H7 | 174.2° | 179.4° |
| C3 | N2 | C7 | H7A | 65.8° | 60.6° |
| C7 | N2 | C3 | C4 | 54.0° | 59.3° |
| C7 | N2 | C3 | H3 | 66.0° | 60.6° |
| C7 | N2 | C3 | H3A | 174.0° | 179.2° |
| N2 | C7 | C6 | N5 | 54.9° | 58.4° |
| N2 | C7 | C6 | H7 | 120.0° | 120.0° |
| N2 | C7 | C6 | H7A | 120.0° | 120.0° |
| N2 | C7 | C6 | H6 | 175.0° | 178.4° |
| N2 | C7 | C6 | H6A | 65.1° | 61.5° |
| N2 | C7 | H7 | H7A | 118.8° | 120.0° |
| C4 | C3 | H3 | H3A | 118.9° | 120.0° |
| C3 | C4 | N5 | H4 | 120.0° | 120.0° |
| C3 | C4 | N5 | H4A | 120.0° | 120.0° |
| C3 | C4 | H4 | H4A | 119.7° | 120.1° |
| C3 | C4 | N5 | C8 | 172.1° | 176.8° |
| C3 | C4 | N5 | C6 | 56.6° | 59.3° |
| H3 | C3 | C4 | N5 | 65.1° | 61.6° |
| H3 | C3 | C4 | H4 | 54.9° | 58.4° |
| H3 | C3 | C4 | H4A | 174.9° | 178.5° |
| H3A | C3 | C4 | N5 | 174.9° | 178.4° |
| H3A | C3 | C4 | H4 | 65.1° | 61.7° |
| H3A | C3 | C4 | H4A | 54.9° | 58.4° |
| N5 | C4 | H4 | H4A | 119.7° | 120.0° |
| C4 | N5 | C8 | C6 | 129.5° | 123.8° |
| C4 | N5 | C6 | C7 | 56.3° | 59.3° |
| C4 | N5 | C6 | H6 | 176.3° | 179.3° |
| C4 | N5 | C6 | H6A | 63.7° | 60.6° |
| C4 | N5 | C8 | C9 | 86.7° | 120.0° |
| C4 | N5 | C8 | C30 | 93.3° | 59.7° |
| H4 | C4 | N5 | C8 | 52.1° | 56.9° |
| H4 | C4 | N5 | C6 | 176.5° | 179.3° |
| H4A | C4 | N5 | C8 | 68.0° | 63.2° |
| H4A | C4 | N5 | C6 | 63.4° | 60.6° |
| C8 | N5 | C6 | C7 | 175.3° | 176.9° |
| C8 | N5 | C6 | H6 | 55.3° | 56.9° |
| C8 | N5 | C6 | H6A | 64.7° | 63.2° |
| N5 | C8 | C9 | C30 | 180.0° | 179.6° |
| N5 | C8 | C9 | F10 | 0.2° | 0.1° |
| N5 | C8 | C9 | C11 | 179.7° | 179.9° |
| N5 | C8 | C30 | C29 | 179.8° | 179.8° |
| N5 | C8 | C30 | H30 | 0.2° | 0.1° |
| N5 | C6 | C7 | H6 | 120.0° | 120.0° |
| N5 | C6 | C7 | H6A | 120.0° | 119.9° |
| N5 | C6 | H6 | H6A | 120.0° | 120.0° |
| N5 | C6 | C7 | H7 | 174.9° | 178.4° |
| N5 | C6 | C7 | H7A | 65.1° | 61.6° |
| C6 | N5 | C8 | C9 | 143.8° | 116.2° |
| C6 | N5 | C8 | C30 | 36.2° | 64.1° |
| C7 | C6 | H6 | H6A | 119.9° | 120.1° |
| C6 | C7 | H7 | H7A | 118.7° | 120.0° |
| H6 | C6 | C7 | H7 | 65.0° | 61.6° |
| H6 | C6 | C7 | H7A | 54.9° | 58.4° |
| H6A | C6 | C7 | H7 | 54.9° | 58.5° |
| H6A | C6 | C7 | H7A | 174.9° | 178.5° |
| C8 | C9 | F10 | C11 | 179.9° | 180.0° |
| C8 | C9 | C11 | C12 | 0.2° | 0.1° |
| C8 | C9 | C11 | H11 | 179.8° | 180.0° |
| C9 | C8 | C30 | C29 | 0.2° | 0.6° |
| C9 | C8 | C30 | H30 | 179.8° | 179.7° |
| C30 | C8 | C9 | F10 | 179.8° | 179.7° |
| C30 | C8 | C9 | C11 | 0.3° | 0.3° |
| C8 | C30 | C29 | C12 | 0.1° | 0.6° |
| C8 | C30 | C29 | N17 | 179.7° | 179.7° |
| C8 | C30 | C29 | H30 | 180.0° | 179.7° |
| F10 | C9 | C11 | C12 | 179.9° | 180.0° |
| F10 | C9 | C11 | H11 | 0.1° | 0.0° |
| C9 | C11 | C12 | H11 | 180.0° | 179.9° |
| C9 | C11 | C12 | C29 | 0.1° | 0.1° |
| C9 | C11 | C12 | C13 | 179.9° | 180.0° |
| C11 | C12 | C29 | C13 | 180.0° | 179.9° |
| C11 | C12 | C13 | O14 | 1.7° | 0.0° |
| C11 | C12 | C13 | C15 | 179.8° | 180.0° |
| C11 | C12 | C29 | N17 | 179.6° | 180.0° |
| C11 | C12 | C29 | C30 | 0.2° | 0.3° |
| H11 | C11 | C12 | C29 | 180.0° | 180.0° |
| H11 | C11 | C12 | C13 | 0.1° | 0.1° |
| C29 | C12 | C13 | O14 | 178.3° | 179.9° |
| C29 | C12 | C13 | C15 | 0.2° | 0.0° |
| C12 | C29 | N17 | C16 | 0.8° | 0.0° |
| C12 | C29 | N17 | C30 | 179.8° | 179.7° |
| C12 | C29 | N17 | C18 | 175.5° | 180.0° |
| C12 | C29 | C30 | H30 | 179.9° | 179.7° |
| C12 | C13 | O14 | C15 | 178.5° | 180.0° |
| C12 | C13 | C15 | C16 | 0.4° | 0.0° |
| C12 | C13 | C15 | C31 | 179.6° | 180.0° |
| C13 | C12 | C29 | N17 | 0.4° | 0.0° |
| C13 | C12 | C29 | C30 | 179.8° | 179.7° |
| O14 | C13 | C15 | C16 | 178.0° | 180.0° |
| O14 | C13 | C15 | C31 | 2.0° | 0.0° |
| C13 | C15 | C16 | C31 | 180.0° | 180.0° |
| C13 | C15 | C16 | N17 | 0.0° | 0.0° |
| C13 | C15 | C16 | H16 | 180.0° | 180.0° |
| C13 | C15 | C31 | O32 | 3.2° | 180.0° |
| C13 | C15 | C31 | O33 | 176.9° | 0.0° |
| C15 | C16 | N17 | H16 | 180.0° | 179.9° |
| C15 | C16 | N17 | C29 | 0.6° | 0.0° |
| C15 | C16 | N17 | C18 | 175.7° | 179.9° |
| C16 | C15 | C31 | O32 | 176.8° | 0.1° |
| C16 | C15 | C31 | O33 | 3.1° | 180.0° |
| C31 | C15 | C16 | N17 | 180.0° | 180.0° |
| C31 | C15 | C16 | H16 | 0.0° | 0.1° |
| C15 | C31 | O32 | O33 | 180.0° | 180.0° |
| C15 | C31 | O33 | C34 | 168.9° | 180.0° |
| C16 | N17 | C29 | C18 | 176.3° | 180.0° |
| C16 | N17 | C18 | C19 | 94.1° | 90.0° |
| C16 | N17 | C18 | H18 | 25.9° | 150.0° |
| C16 | N17 | C18 | H18A | 145.9° | 30.0° |
| C16 | N17 | C29 | C30 | 179.4° | 179.7° |
| H16 | C16 | N17 | C29 | 179.4° | 180.0° |
| H16 | C16 | N17 | C18 | 4.3° | 0.0° |
| C29 | N17 | C18 | C19 | 82.1° | 90.0° |
| C29 | N17 | C18 | H18 | 157.9° | 30.1° |
| C29 | N17 | C18 | H18A | 37.9° | 150.0° |
| N17 | C29 | C30 | H30 | 0.3° | 0.0° |
| N17 | C18 | C19 | H18 | 120.0° | 120.0° |
| N17 | C18 | C19 | H18A | 120.0° | 120.0° |
| N17 | C18 | H18 | H18A | 118.5° | 119.9° |
| N17 | C18 | C19 | C24 | 167.9° | 90.0° |
| N17 | C18 | C19 | C20 | 12.0° | 89.8° |
| C18 | N17 | C29 | C30 | 4.3° | 0.3° |
| C19 | C18 | H18 | H18A | 118.4° | 120.1° |
| C18 | C19 | C24 | C20 | 179.9° | 179.8° |
| C18 | C19 | C20 | C21 | 180.0° | 179.9° |
| C18 | C19 | C20 | H20 | 0.0° | 0.0° |
| C18 | C19 | C24 | C23 | 180.0° | 179.7° |
| C18 | C19 | C24 | H24 | 0.0° | 0.1° |
| H18 | C18 | C19 | C24 | 72.1° | 29.9° |
| H18 | C18 | C19 | C20 | 108.0° | 150.3° |
| H18A | C18 | C19 | C24 | 47.9° | 150.0° |
| H18A | C18 | C19 | C20 | 132.0° | 30.2° |
| C24 | C19 | C20 | C21 | 0.1° | 0.3° |
| C24 | C19 | C20 | H20 | 179.9° | 179.8° |
| C19 | C24 | C23 | C22 | 0.1° | 0.5° |
| C19 | C24 | C23 | H24 | 180.0° | 179.8° |
| C19 | C24 | C23 | H23 | 179.9° | 179.8° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.0° | 0.1° |
| C19 | C20 | C21 | H21 | 180.0° | 180.0° |
| C20 | C19 | C24 | C23 | 0.1° | 0.5° |
| C20 | C19 | C24 | H24 | 179.9° | 179.7° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.0° | 0.1° |
| C20 | C21 | C22 | S25 | 179.9° | 180.0° |
| H20 | C20 | C21 | C22 | 180.0° | 180.0° |
| H20 | C20 | C21 | H21 | 0.1° | 0.0° |
| C21 | C22 | C23 | S25 | 179.9° | 179.9° |
| C21 | C22 | C23 | C24 | 0.0° | 0.3° |
| C21 | C22 | C23 | H23 | 180.0° | 180.0° |
| C21 | C22 | S25 | C26 | 92.1° | 90.0° |
| C21 | C22 | S25 | O27 | 154.3° | 153.9° |
| C21 | C22 | S25 | O28 | 22.8° | 26.0° |
| H21 | C21 | C22 | C23 | 180.0° | 180.0° |
| H21 | C21 | C22 | S25 | 0.1° | 0.1° |
| C22 | C23 | C24 | H23 | 180.0° | 179.7° |
| C22 | C23 | C24 | H24 | 179.9° | 179.7° |
| C23 | C22 | S25 | C26 | 88.1° | 90.0° |
| C23 | C22 | S25 | O27 | 25.6° | 26.0° |
| C23 | C22 | S25 | O28 | 157.1° | 153.9° |
| S25 | C22 | C23 | C24 | 179.9° | 179.8° |
| S25 | C22 | C23 | H23 | 0.1° | 0.0° |
| C22 | S25 | C26 | O27 | 114.3° | 111.6° |
| C22 | S25 | C26 | O28 | 114.1° | 111.6° |
| C22 | S25 | O27 | O28 | 124.0° | 116.8° |
| C22 | S25 | C26 | H26 | 180.0° | 60.0° |
| C22 | S25 | C26 | H26A | 60.0° | 180.0° |
| C22 | S25 | C26 | H26B | 60.0° | 60.0° |
| H23 | C23 | C24 | H24 | 0.1° | 0.0° |
| C26 | S25 | O27 | O28 | 124.7° | 131.5° |
| S25 | C26 | H26 | H26A | 120.0° | 120.0° |
| S25 | C26 | H26 | H26B | 120.0° | 120.0° |
| S25 | C26 | H26A | H26B | 120.0° | 120.0° |
| O27 | S25 | C26 | H26 | 65.7° | 51.7° |
| O27 | S25 | C26 | H26A | 54.3° | 68.3° |
| O27 | S25 | C26 | H26B | 174.3° | 171.6° |
| O28 | S25 | C26 | H26 | 65.9° | 171.6° |
| O28 | S25 | C26 | H26A | 174.1° | 68.4° |
| O28 | S25 | C26 | H26B | 54.1° | 51.6° |
| H26 | C26 | H26A | H26B | 120.0° | 120.0° |
| O32 | C31 | O33 | C34 | 11.1° | 0.0° |
| C31 | O33 | C34 | C35 | 89.0° | 180.0° |
| C31 | O33 | C34 | H34 | 31.0° | 60.0° |
| C31 | O33 | C34 | H34A | 151.0° | 60.0° |
| O33 | C34 | C35 | H34 | 120.0° | 120.0° |
| O33 | C34 | C35 | H34A | 120.0° | 120.0° |
| O33 | C34 | H34 | H34A | 119.7° | 120.0° |
| O33 | C34 | C35 | C41 | 117.4° | 90.0° |
| O33 | C34 | C35 | C36 | 62.5° | 89.8° |
| C35 | C34 | H34 | H34A | 119.7° | 120.1° |
| C34 | C35 | C41 | C36 | 179.9° | 179.8° |
| C34 | C35 | C36 | C37 | 179.9° | 180.0° |
| C34 | C35 | C36 | H36 | 0.1° | 0.0° |
| C34 | C35 | C41 | C40 | 179.9° | 179.7° |
| C34 | C35 | C41 | H41 | 0.1° | 0.0° |
| H34 | C34 | C35 | C41 | 2.6° | 30.0° |
| H34 | C34 | C35 | C36 | 177.5° | 150.3° |
| H34A | C34 | C35 | C41 | 122.6° | 150.0° |
| H34A | C34 | C35 | C36 | 57.5° | 30.3° |
| C41 | C35 | C36 | C37 | 0.2° | 0.3° |
| C41 | C35 | C36 | H36 | 179.8° | 179.7° |
| C35 | C41 | C40 | C38 | 0.1° | 0.6° |
| C35 | C41 | C40 | H41 | 180.0° | 179.7° |
| C35 | C41 | C40 | H40 | 179.9° | 179.7° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.1° | 0.0° |
| C35 | C36 | C37 | H37 | 179.9° | 180.0° |
| C36 | C35 | C41 | C40 | 0.2° | 0.5° |
| C36 | C35 | C41 | H41 | 179.8° | 179.7° |
| C36 | C37 | C38 | H37 | 180.0° | 180.0° |
| C36 | C37 | C38 | C40 | 0.0° | 0.0° |
| C36 | C37 | C38 | CL39 | 179.8° | 180.0° |
| H36 | C36 | C37 | C38 | 179.9° | 180.0° |
| H36 | C36 | C37 | H37 | 0.1° | 0.0° |
| C37 | C38 | C40 | CL39 | 179.8° | 180.0° |
| C37 | C38 | C40 | C41 | 0.0° | 0.3° |
| C37 | C38 | C40 | H40 | 180.0° | 180.0° |
| H37 | C37 | C38 | C40 | 180.0° | 180.0° |
| H37 | C37 | C38 | CL39 | 0.2° | 0.0° |
| C38 | C40 | C41 | H40 | 180.0° | 179.7° |
| C38 | C40 | C41 | H41 | 179.9° | 179.7° |
| CL39 | C38 | C40 | C41 | 179.8° | 179.7° |
| CL39 | C38 | C40 | H40 | 0.2° | 0.0° |
| H40 | C40 | C41 | H41 | 0.1° | 0.0° |
