2SW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C25 | sing | 1.53Å | 1.53Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C27 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | S1 | sing | 1.81Å | 1.80Å | |
| O4 | S1 | doub | 1.42Å | 1.43Å | |
| S1 | C20 | sing | 1.81Å | 1.81Å | |
| S1 | O5 | doub | 1.42Å | 1.43Å | |
| C20 | C18 | sing | 1.53Å | 1.54Å | |
| C22 | C19 | sing | 1.53Å | 1.50Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C18 | N1 | sing | 1.47Å | 1.51Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C7 | sing | 1.38Å | 1.42Å | Aromatic |
| N1 | C1 | sing | 1.46Å | 1.49Å | |
| N1 | C5 | sing | 1.33Å | 1.37Å | |
| CL1 | C10 | sing | 1.74Å | 1.69Å | |
| C10 | C9 | doub | 1.38Å | 1.42Å | Aromatic |
| C7 | C1 | sing | 1.51Å | 1.52Å | |
| C7 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
| O1 | C5 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C5 | C4 | sing | 1.50Å | 1.54Å | |
| C9 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.43Å | Aromatic |
| C13 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C24 | C4 | sing | 1.53Å | 1.55Å | |
| C14 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | C6 | sing | 1.51Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| C4 | C21 | sing | 1.53Å | 1.54Å | |
| C6 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | C23 | sing | 1.51Å | 1.55Å | |
| C16 | CL2 | sing | 1.74Å | 1.72Å | |
| C23 | O2 | doub | 1.21Å | 1.24Å | |
| C23 | O3 | sing | 1.34Å | 1.24Å | |
| C17 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| O3 | H10 | sing | 0.97Å | 0.95Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C8 | H23 | sing | 1.08Å | 1.08Å | |
| C9 | H24 | sing | 1.08Å | 1.08Å | |
| C11 | H25 | sing | 1.08Å | 1.08Å | |
| C12 | H26 | sing | 1.08Å | 1.08Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C25 | C26 | 108.3° | 109.5° |
| C28 | C25 | C27 | 114.0° | 109.5° |
| C28 | C25 | S1 | 108.0° | 109.4° |
| C25 | C28 | H33 | 109.5° | 109.5° |
| C25 | C28 | H34 | 109.5° | 109.5° |
| C25 | C28 | H35 | 109.5° | 109.4° |
| C26 | C25 | C27 | 107.7° | 109.5° |
| C26 | C25 | S1 | 108.4° | 109.5° |
| C25 | C26 | H27 | 109.5° | 109.5° |
| C25 | C26 | H28 | 109.5° | 109.5° |
| C25 | C26 | H29 | 109.5° | 109.5° |
| C27 | C25 | S1 | 110.2° | 109.5° |
| C25 | C27 | H30 | 109.5° | 109.4° |
| C25 | C27 | H31 | 109.5° | 109.4° |
| C25 | C27 | H32 | 109.4° | 109.5° |
| C25 | S1 | O4 | 106.0° | 108.5° |
| C25 | S1 | C20 | 109.1° | 101.9° |
| C25 | S1 | O5 | 104.9° | 108.6° |
| O4 | S1 | C20 | 109.2° | 108.6° |
| O4 | S1 | O5 | 118.8° | 119.2° |
| C20 | S1 | O5 | 108.4° | 108.6° |
| S1 | C20 | C18 | 110.4° | 109.5° |
| S1 | C20 | H20 | 109.3° | 109.5° |
| S1 | C20 | H21 | 109.2° | 109.5° |
| C20 | C18 | C19 | 111.3° | 109.5° |
| C20 | C18 | N1 | 117.3° | 109.5° |
| C20 | C18 | H14 | 105.2° | 109.4° |
| C18 | C20 | H20 | 109.3° | 109.5° |
| C18 | C20 | H21 | 109.3° | 109.4° |
| C22 | C19 | C18 | 115.1° | 109.5° |
| C22 | C19 | H15 | 108.0° | 109.5° |
| C22 | C19 | H16 | 108.0° | 109.4° |
| C19 | C22 | H17 | 109.5° | 109.5° |
| C19 | C22 | H18 | 109.5° | 109.5° |
| C19 | C22 | H19 | 109.5° | 109.5° |
| C19 | C18 | N1 | 111.4° | 109.5° |
| C19 | C18 | H14 | 105.0° | 109.5° |
| C18 | C19 | H15 | 108.0° | 109.5° |
| C18 | C19 | H16 | 108.1° | 109.5° |
| C18 | N1 | C1 | 118.0° | 117.9° |
| C18 | N1 | C5 | 117.3° | 118.0° |
| N1 | C18 | H14 | 105.5° | 109.5° |
| C12 | C11 | C10 | 118.6° | 120.0° |
| C11 | C12 | C7 | 121.2° | 120.0° |
| C12 | C11 | H25 | 120.7° | 120.0° |
| C11 | C12 | H26 | 119.4° | 120.0° |
| C11 | C10 | CL1 | 117.6° | 120.0° |
| C11 | C10 | C9 | 122.4° | 120.0° |
| C10 | C11 | H25 | 120.7° | 120.0° |
| C12 | C7 | C1 | 119.5° | 120.0° |
| C12 | C7 | C8 | 118.8° | 120.0° |
| C7 | C12 | H26 | 119.4° | 120.0° |
| C1 | N1 | C5 | 124.7° | 124.1° |
| N1 | C1 | C7 | 113.3° | 109.3° |
| N1 | C1 | C2 | 114.5° | 110.4° |
| N1 | C1 | H22 | 106.0° | 109.3° |
| N1 | C5 | O1 | 120.2° | 118.3° |
| N1 | C5 | C4 | 121.2° | 123.5° |
| CL1 | C10 | C9 | 120.0° | 120.0° |
| C10 | C9 | C8 | 118.0° | 120.0° |
| C10 | C9 | H24 | 121.0° | 120.0° |
| C1 | C7 | C8 | 121.7° | 120.0° |
| C7 | C1 | C2 | 111.0° | 109.3° |
| C7 | C1 | H22 | 105.7° | 109.1° |
| C7 | C8 | C9 | 121.0° | 120.1° |
| C7 | C8 | H23 | 119.5° | 120.0° |
| O1 | C5 | C4 | 118.6° | 118.2° |
| C1 | C2 | C3 | 110.5° | 108.7° |
| C1 | C2 | C6 | 115.2° | 109.6° |
| C1 | C2 | H5 | 105.5° | 109.7° |
| C2 | C1 | H22 | 105.4° | 109.3° |
| C5 | C4 | C24 | 108.7° | 109.3° |
| C5 | C4 | C3 | 113.1° | 109.9° |
| C5 | C4 | C21 | 104.8° | 109.4° |
| C9 | C8 | H23 | 119.5° | 120.0° |
| C8 | C9 | H24 | 121.0° | 120.0° |
| C14 | C13 | C6 | 121.0° | 120.0° |
| C13 | C14 | C15 | 120.1° | 120.0° |
| C13 | C14 | H3 | 119.9° | 120.0° |
| C14 | C13 | H4 | 119.5° | 120.0° |
| C13 | C6 | C2 | 121.7° | 120.0° |
| C13 | C6 | C17 | 118.0° | 120.0° |
| C6 | C13 | H4 | 119.5° | 120.0° |
| C24 | C4 | C3 | 106.4° | 109.4° |
| C24 | C4 | C21 | 113.1° | 109.4° |
| C4 | C24 | H11 | 109.5° | 109.5° |
| C4 | C24 | H12 | 109.4° | 109.5° |
| C4 | C24 | H13 | 109.5° | 109.5° |
| C14 | C15 | C16 | 118.7° | 120.0° |
| C14 | C15 | H2 | 120.7° | 120.0° |
| C15 | C14 | H3 | 120.0° | 120.0° |
| C3 | C2 | C6 | 113.2° | 109.6° |
| C2 | C3 | C4 | 113.1° | 108.4° |
| C3 | C2 | H5 | 105.6° | 109.6° |
| C2 | C3 | H6 | 108.6° | 109.7° |
| C2 | C3 | H7 | 108.6° | 109.6° |
| C2 | C6 | C17 | 120.3° | 120.0° |
| C6 | C2 | H5 | 105.8° | 109.6° |
| C3 | C4 | C21 | 111.0° | 109.4° |
| C4 | C3 | H6 | 108.6° | 109.6° |
| C4 | C3 | H7 | 108.6° | 109.7° |
| C4 | C21 | C23 | 115.7° | 109.4° |
| C4 | C21 | H8 | 107.9° | 109.5° |
| C4 | C21 | H9 | 107.9° | 109.5° |
| C6 | C17 | C16 | 120.8° | 120.0° |
| C6 | C17 | H1 | 119.6° | 120.0° |
| C15 | C16 | C17 | 121.4° | 120.0° |
| C15 | C16 | CL2 | 120.6° | 120.0° |
| C16 | C15 | H2 | 120.6° | 120.0° |
| C17 | C16 | CL2 | 117.9° | 120.0° |
| C16 | C17 | H1 | 119.6° | 120.0° |
| C21 | C23 | O2 | 119.6° | 120.0° |
| C21 | C23 | O3 | 121.9° | 120.0° |
| C23 | C21 | H8 | 107.9° | 109.4° |
| C23 | C21 | H9 | 107.9° | 109.5° |
| O2 | C23 | O3 | 118.5° | 120.0° |
| C23 | O3 | H10 | 109.5° | 117.0° |
| H6 | C3 | H7 | 109.5° | 109.7° |
| H8 | C21 | H9 | 109.5° | 109.5° |
| H11 | C24 | H12 | 109.5° | 109.5° |
| H11 | C24 | H13 | 109.5° | 109.5° |
| H12 | C24 | H13 | 109.5° | 109.4° |
| H15 | C19 | H16 | 109.5° | 109.4° |
| H17 | C22 | H18 | 109.5° | 109.4° |
| H17 | C22 | H19 | 109.5° | 109.4° |
| H18 | C22 | H19 | 109.5° | 109.5° |
| H20 | C20 | H21 | 109.4° | 109.5° |
| H27 | C26 | H28 | 109.5° | 109.5° |
| H27 | C26 | H29 | 109.5° | 109.5° |
| H28 | C26 | H29 | 109.5° | 109.5° |
| H30 | C27 | H31 | 109.5° | 109.5° |
| H30 | C27 | H32 | 109.5° | 109.5° |
| H31 | C27 | H32 | 109.5° | 109.5° |
| H33 | C28 | H34 | 109.5° | 109.5° |
| H33 | C28 | H35 | 109.4° | 109.5° |
| H34 | C28 | H35 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C25 | C26 | C27 | 123.8° | 120.0° |
| C28 | C25 | C26 | S1 | 117.0° | 120.0° |
| C28 | C25 | C27 | S1 | 121.7° | 120.0° |
| C28 | C25 | S1 | O4 | 45.1° | 174.5° |
| C28 | C25 | S1 | C20 | 72.3° | 60.0° |
| C28 | C25 | S1 | O5 | 171.7° | 54.5° |
| C28 | C25 | C26 | H27 | 180.0° | 180.0° |
| C28 | C25 | C26 | H28 | 60.0° | 60.0° |
| C28 | C25 | C26 | H29 | 60.0° | 60.0° |
| C28 | C25 | C27 | H30 | 180.0° | 60.0° |
| C28 | C25 | C27 | H31 | 60.0° | 60.0° |
| C28 | C25 | C27 | H32 | 60.0° | 180.0° |
| C25 | C28 | H33 | H34 | 120.0° | 120.0° |
| C25 | C28 | H33 | H35 | 120.0° | 120.0° |
| C25 | C28 | H34 | H35 | 120.0° | 119.9° |
| C26 | C25 | C27 | S1 | 118.0° | 120.1° |
| C26 | C25 | S1 | O4 | 72.0° | 54.5° |
| C26 | C25 | S1 | C20 | 170.5° | 60.0° |
| C26 | C25 | S1 | O5 | 54.5° | 174.5° |
| C25 | C26 | H27 | H28 | 120.0° | 120.0° |
| C25 | C26 | H27 | H29 | 120.0° | 120.0° |
| C25 | C26 | H28 | H29 | 120.0° | 120.0° |
| C26 | C25 | C27 | H30 | 59.7° | 180.0° |
| C26 | C25 | C27 | H31 | 60.2° | 60.0° |
| C26 | C25 | C27 | H32 | 179.8° | 60.0° |
| C26 | C25 | C28 | H33 | 180.0° | 60.0° |
| C26 | C25 | C28 | H34 | 60.0° | 60.0° |
| C26 | C25 | C28 | H35 | 60.0° | 180.0° |
| C27 | C25 | S1 | O4 | 170.3° | 65.6° |
| C27 | C25 | S1 | C20 | 52.9° | 180.0° |
| C27 | C25 | S1 | O5 | 63.1° | 65.5° |
| C27 | C25 | C26 | H27 | 56.2° | 60.0° |
| C27 | C25 | C26 | H28 | 176.3° | 60.0° |
| C27 | C25 | C26 | H29 | 63.8° | 180.0° |
| C25 | C27 | H30 | H31 | 120.0° | 120.0° |
| C25 | C27 | H30 | H32 | 120.0° | 120.0° |
| C25 | C27 | H31 | H32 | 120.0° | 120.0° |
| C27 | C25 | C28 | H33 | 60.2° | 180.0° |
| C27 | C25 | C28 | H34 | 59.9° | 60.0° |
| C27 | C25 | C28 | H35 | 179.9° | 60.0° |
| C25 | S1 | O4 | C20 | 117.5° | 110.0° |
| C25 | S1 | O4 | O5 | 117.6° | 125.0° |
| C25 | S1 | C20 | O5 | 113.7° | 114.5° |
| C25 | S1 | C20 | C18 | 166.4° | 169.1° |
| C25 | S1 | C20 | H20 | 73.4° | 70.8° |
| C25 | S1 | C20 | H21 | 46.3° | 49.2° |
| S1 | C25 | C26 | H27 | 63.0° | 60.0° |
| S1 | C25 | C26 | H28 | 57.0° | 180.0° |
| S1 | C25 | C26 | H29 | 177.0° | 60.0° |
| S1 | C25 | C27 | H30 | 58.3° | 59.9° |
| S1 | C25 | C27 | H31 | 178.3° | 180.0° |
| S1 | C25 | C27 | H32 | 61.7° | 60.0° |
| S1 | C25 | C28 | H33 | 62.8° | 60.0° |
| S1 | C25 | C28 | H34 | 177.2° | 179.9° |
| S1 | C25 | C28 | H35 | 57.2° | 60.0° |
| O4 | S1 | C20 | O5 | 130.8° | 131.0° |
| O4 | S1 | C20 | C18 | 50.9° | 54.7° |
| O4 | S1 | C20 | H20 | 171.1° | 174.7° |
| O4 | S1 | C20 | H21 | 69.2° | 65.3° |
| S1 | C20 | C18 | H20 | 120.2° | 120.1° |
| S1 | C20 | C18 | H21 | 120.1° | 120.0° |
| S1 | C20 | C18 | C19 | 178.8° | 171.4° |
| S1 | C20 | C18 | N1 | 48.8° | 68.6° |
| S1 | C20 | C18 | H14 | 68.0° | 51.4° |
| S1 | C20 | H20 | H21 | 119.6° | 120.0° |
| O5 | S1 | C20 | C18 | 79.9° | 76.4° |
| O5 | S1 | C20 | H20 | 40.3° | 43.7° |
| O5 | S1 | C20 | H21 | 160.0° | 163.7° |
| C20 | C18 | C19 | C22 | 95.6° | 176.9° |
| C20 | C18 | C19 | N1 | 133.0° | 120.0° |
| C20 | C18 | C19 | H14 | 113.3° | 119.9° |
| C20 | C18 | N1 | H14 | 116.6° | 120.0° |
| C20 | C18 | N1 | C1 | 113.5° | 97.6° |
| C20 | C18 | N1 | C5 | 66.6° | 82.4° |
| C20 | C18 | C19 | H15 | 25.2° | 63.0° |
| C20 | C18 | C19 | H16 | 143.6° | 57.0° |
| C18 | C20 | H20 | H21 | 119.6° | 119.9° |
| C22 | C19 | C18 | H15 | 120.8° | 120.0° |
| C22 | C19 | C18 | H16 | 120.8° | 120.0° |
| C22 | C19 | C18 | N1 | 131.4° | 63.0° |
| C22 | C19 | C18 | H14 | 17.7° | 57.0° |
| C22 | C19 | H15 | H16 | 117.4° | 119.9° |
| C19 | C22 | H17 | H18 | 120.0° | 120.0° |
| C19 | C22 | H17 | H19 | 120.0° | 120.0° |
| C19 | C22 | H18 | H19 | 120.0° | 120.0° |
| C19 | C18 | N1 | H14 | 113.4° | 120.0° |
| C19 | C18 | N1 | C1 | 116.5° | 22.4° |
| C19 | C18 | N1 | C5 | 63.4° | 157.6° |
| C18 | C19 | H15 | H16 | 117.4° | 120.0° |
| C18 | C19 | C22 | H17 | 180.0° | 55.1° |
| C18 | C19 | C22 | H18 | 60.0° | 64.9° |
| C18 | C19 | C22 | H19 | 60.0° | 175.1° |
| C19 | C18 | C20 | H20 | 58.6° | 51.3° |
| C19 | C18 | C20 | H21 | 61.1° | 68.7° |
| C18 | N1 | C1 | C5 | 179.8° | 180.0° |
| C18 | N1 | C1 | C7 | 40.7° | 40.6° |
| C18 | N1 | C5 | O1 | 4.8° | 2.2° |
| C18 | N1 | C1 | C2 | 169.5° | 160.9° |
| C18 | N1 | C5 | C4 | 175.3° | 177.7° |
| N1 | C18 | C19 | H15 | 107.8° | 57.0° |
| N1 | C18 | C19 | H16 | 10.6° | 177.0° |
| N1 | C18 | C20 | H20 | 71.4° | 171.3° |
| N1 | C18 | C20 | H21 | 168.9° | 51.3° |
| C18 | N1 | C1 | H22 | 74.8° | 78.8° |
| C12 | C11 | C10 | H25 | 180.0° | 179.5° |
| C11 | C12 | C7 | H26 | 180.0° | 179.5° |
| C12 | C11 | C10 | CL1 | 179.3° | 179.7° |
| C12 | C11 | C10 | C9 | 0.1° | 0.3° |
| C11 | C12 | C7 | C1 | 178.5° | 179.7° |
| C11 | C12 | C7 | C8 | 0.3° | 0.5° |
| C10 | C11 | C12 | C7 | 0.1° | 0.5° |
| C11 | C10 | CL1 | C9 | 179.5° | 179.9° |
| C11 | C10 | C9 | C8 | 0.2° | 0.1° |
| C11 | C10 | C9 | H24 | 179.8° | 180.0° |
| C10 | C11 | C12 | H26 | 179.9° | 179.9° |
| C12 | C7 | C1 | N1 | 116.7° | 51.8° |
| C12 | C7 | C1 | C8 | 178.7° | 179.7° |
| C12 | C7 | C1 | C2 | 112.8° | 69.2° |
| C12 | C7 | C8 | C9 | 0.2° | 0.3° |
| C12 | C7 | C1 | H22 | 1.0° | 171.4° |
| C12 | C7 | C8 | H23 | 179.8° | 179.8° |
| C7 | C12 | C11 | H25 | 179.8° | 180.0° |
| N1 | C1 | C7 | C2 | 130.5° | 121.0° |
| N1 | C1 | C7 | H22 | 115.7° | 119.5° |
| N1 | C1 | C7 | C8 | 64.5° | 128.4° |
| C1 | N1 | C5 | O1 | 175.1° | 177.8° |
| N1 | C1 | C2 | H22 | 116.1° | 120.3° |
| C1 | N1 | C5 | C4 | 4.9° | 2.3° |
| N1 | C1 | C2 | C3 | 40.0° | 50.8° |
| N1 | C1 | C2 | C6 | 169.9° | 170.5° |
| N1 | C1 | C2 | H5 | 73.7° | 69.1° |
| C1 | N1 | C18 | H14 | 3.1° | 142.4° |
| C5 | N1 | C1 | C7 | 139.1° | 139.4° |
| N1 | C5 | O1 | C4 | 180.0° | 180.0° |
| C5 | N1 | C1 | C2 | 10.4° | 19.1° |
| N1 | C5 | C4 | C24 | 128.8° | 137.7° |
| N1 | C5 | C4 | C3 | 10.9° | 17.6° |
| N1 | C5 | C4 | C21 | 110.1° | 102.5° |
| C5 | N1 | C18 | H14 | 176.8° | 37.6° |
| C5 | N1 | C1 | H22 | 105.4° | 101.2° |
| CL1 | C10 | C9 | C8 | 179.2° | 180.0° |
| CL1 | C10 | C9 | H24 | 0.8° | 0.1° |
| CL1 | C10 | C11 | H25 | 0.6° | 0.3° |
| C10 | C9 | C8 | C7 | 0.1° | 0.1° |
| C10 | C9 | C8 | H24 | 180.0° | 179.9° |
| C10 | C9 | C8 | H23 | 179.9° | 180.0° |
| C9 | C10 | C11 | H25 | 179.9° | 179.8° |
| C7 | C1 | C2 | H22 | 114.0° | 119.4° |
| C1 | C7 | C8 | C9 | 178.6° | 180.0° |
| C7 | C1 | C2 | C3 | 169.8° | 171.1° |
| C7 | C1 | C2 | C6 | 60.2° | 69.2° |
| C7 | C1 | C2 | H5 | 56.1° | 51.2° |
| C1 | C7 | C8 | H23 | 1.4° | 0.0° |
| C1 | C7 | C12 | H26 | 1.5° | 0.2° |
| C8 | C7 | C1 | C2 | 66.0° | 110.6° |
| C7 | C8 | C9 | H23 | 180.0° | 179.9° |
| C8 | C7 | C1 | H22 | 179.8° | 8.9° |
| C7 | C8 | C9 | H24 | 180.0° | 180.0° |
| C8 | C7 | C12 | H26 | 179.7° | 180.0° |
| O1 | C5 | C4 | C24 | 51.2° | 42.4° |
| O1 | C5 | C4 | C3 | 169.1° | 162.4° |
| O1 | C5 | C4 | C21 | 69.9° | 77.5° |
| C1 | C2 | C6 | C13 | 78.7° | 120.8° |
| C1 | C2 | C3 | C6 | 131.0° | 119.7° |
| C1 | C2 | C3 | H5 | 113.7° | 119.9° |
| C1 | C2 | C6 | H5 | 116.2° | 120.5° |
| C1 | C2 | C3 | C4 | 56.1° | 67.6° |
| C1 | C2 | C6 | C17 | 100.0° | 58.7° |
| C1 | C2 | C3 | H6 | 176.7° | 172.8° |
| C1 | C2 | C3 | H7 | 64.4° | 52.2° |
| C5 | C4 | C24 | C3 | 122.0° | 120.3° |
| C5 | C4 | C24 | C21 | 115.9° | 119.8° |
| C5 | C4 | C3 | C2 | 41.6° | 48.9° |
| C5 | C4 | C3 | C21 | 117.4° | 120.2° |
| C5 | C4 | C21 | C23 | 170.9° | 66.4° |
| C5 | C4 | C3 | H6 | 162.1° | 168.6° |
| C5 | C4 | C3 | H7 | 79.0° | 70.8° |
| C5 | C4 | C21 | H8 | 50.0° | 53.5° |
| C5 | C4 | C21 | H9 | 68.1° | 173.6° |
| C5 | C4 | C24 | H11 | 180.0° | 60.4° |
| C5 | C4 | C24 | H12 | 60.0° | 59.7° |
| C5 | C4 | C24 | H13 | 60.0° | 179.6° |
| C14 | C13 | C6 | H4 | 180.0° | 179.7° |
| C13 | C14 | C15 | H3 | 180.0° | 179.9° |
| C14 | C13 | C6 | C2 | 178.8° | 180.0° |
| C14 | C13 | C6 | C17 | 0.0° | 0.6° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C13 | C14 | C15 | H2 | 179.8° | 179.9° |
| C6 | C13 | C14 | C15 | 0.2° | 0.3° |
| C13 | C6 | C2 | C3 | 49.9° | 120.0° |
| C13 | C6 | C2 | C17 | 178.8° | 179.5° |
| C13 | C6 | C17 | C16 | 0.3° | 0.5° |
| C13 | C6 | C17 | H1 | 179.7° | 179.7° |
| C6 | C13 | C14 | H3 | 179.8° | 179.7° |
| C13 | C6 | C2 | H5 | 165.1° | 0.3° |
| C24 | C4 | C3 | C2 | 160.7° | 168.9° |
| C24 | C4 | C3 | C21 | 123.4° | 119.8° |
| C24 | C4 | C21 | C23 | 52.8° | 53.4° |
| C24 | C4 | C3 | H6 | 78.7° | 71.4° |
| C24 | C4 | C3 | H7 | 40.2° | 49.2° |
| C24 | C4 | C21 | H8 | 68.1° | 173.3° |
| C24 | C4 | C21 | H9 | 173.7° | 66.7° |
| C4 | C24 | H11 | H12 | 120.0° | 120.1° |
| C4 | C24 | H11 | H13 | 120.0° | 120.0° |
| C4 | C24 | H12 | H13 | 120.0° | 120.0° |
| C14 | C15 | C16 | H2 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.2° | 0.1° |
| C14 | C15 | C16 | CL2 | 177.9° | 180.0° |
| C15 | C14 | C13 | H4 | 179.8° | 179.9° |
| C3 | C2 | C6 | H5 | 115.2° | 120.3° |
| C2 | C3 | C4 | H6 | 120.5° | 119.7° |
| C2 | C3 | C4 | H7 | 120.6° | 119.7° |
| C2 | C3 | C4 | C21 | 75.9° | 71.2° |
| C3 | C2 | C6 | C17 | 131.4° | 60.5° |
| C2 | C3 | H6 | H7 | 118.4° | 120.5° |
| C3 | C2 | C1 | H22 | 76.1° | 69.5° |
| C6 | C2 | C3 | C4 | 172.9° | 172.7° |
| C2 | C6 | C17 | C16 | 178.5° | 180.0° |
| C2 | C6 | C17 | H1 | 1.5° | 0.2° |
| C2 | C6 | C13 | H4 | 1.2° | 0.2° |
| C6 | C2 | C3 | H6 | 52.3° | 53.0° |
| C6 | C2 | C3 | H7 | 66.6° | 67.5° |
| C6 | C2 | C1 | H22 | 53.8° | 50.2° |
| C3 | C4 | C21 | C23 | 66.7° | 173.2° |
| C4 | C3 | C2 | H5 | 57.5° | 52.4° |
| C4 | C3 | H6 | H7 | 118.3° | 120.6° |
| C3 | C4 | C21 | H8 | 172.4° | 66.9° |
| C3 | C4 | C21 | H9 | 54.2° | 53.2° |
| C3 | C4 | C24 | H11 | 58.0° | 60.0° |
| C3 | C4 | C24 | H12 | 62.0° | 180.0° |
| C3 | C4 | C24 | H13 | 178.0° | 60.1° |
| C4 | C21 | C23 | H8 | 120.9° | 119.9° |
| C4 | C21 | C23 | H9 | 120.9° | 120.0° |
| C4 | C21 | C23 | O2 | 110.9° | 4.2° |
| C4 | C21 | C23 | O3 | 69.6° | 175.9° |
| C21 | C4 | C3 | H6 | 44.7° | 48.5° |
| C21 | C4 | C3 | H7 | 163.6° | 169.1° |
| C4 | C21 | H8 | H9 | 117.1° | 120.1° |
| C21 | C4 | C24 | H11 | 64.1° | 179.8° |
| C21 | C4 | C24 | H12 | 175.9° | 60.1° |
| C21 | C4 | C24 | H13 | 55.9° | 59.8° |
| C6 | C17 | C16 | C15 | 0.4° | 0.2° |
| C6 | C17 | C16 | H1 | 180.0° | 179.8° |
| C6 | C17 | C16 | CL2 | 177.7° | 179.7° |
| C17 | C6 | C13 | H4 | 180.0° | 179.7° |
| C17 | C6 | C2 | H5 | 16.2° | 179.1° |
| C15 | C16 | C17 | CL2 | 178.1° | 179.9° |
| C15 | C16 | C17 | H1 | 179.6° | 180.0° |
| C16 | C15 | C14 | H3 | 179.8° | 179.9° |
| C17 | C16 | C15 | H2 | 179.8° | 180.0° |
| C21 | C23 | O2 | O3 | 179.6° | 179.9° |
| C23 | C21 | H8 | H9 | 117.1° | 120.0° |
| C21 | C23 | O3 | H10 | 179.6° | 180.0° |
| CL2 | C16 | C17 | H1 | 2.3° | 0.1° |
| CL2 | C16 | C15 | H2 | 2.1° | 0.1° |
| O2 | C23 | C21 | H8 | 10.1° | 115.8° |
| O2 | C23 | C21 | H9 | 128.2° | 124.2° |
| O2 | C23 | O3 | H10 | 0.0° | 0.1° |
| O3 | C23 | C21 | H8 | 169.5° | 64.2° |
| O3 | C23 | C21 | H9 | 51.3° | 55.8° |
| H2 | C15 | C14 | H3 | 0.2° | 0.0° |
| H3 | C14 | C13 | H4 | 0.3° | 0.0° |
| H5 | C2 | C3 | H6 | 63.0° | 67.3° |
| H5 | C2 | C3 | H7 | 178.1° | 172.1° |
| H5 | C2 | C1 | H22 | 170.2° | 170.6° |
| H11 | C24 | H12 | H13 | 120.0° | 120.0° |
| H14 | C18 | C19 | H15 | 138.5° | 177.0° |
| H14 | C18 | C19 | H16 | 103.1° | 63.0° |
| H14 | C18 | C20 | H20 | 171.8° | 68.7° |
| H14 | C18 | C20 | H21 | 52.1° | 171.4° |
| H15 | C19 | C22 | H17 | 59.2° | 175.1° |
| H15 | C19 | C22 | H18 | 60.8° | 55.1° |
| H15 | C19 | C22 | H19 | 179.2° | 64.9° |
| H16 | C19 | C22 | H17 | 59.1° | 64.9° |
| H16 | C19 | C22 | H18 | 179.1° | 175.1° |
| H16 | C19 | C22 | H19 | 60.8° | 55.1° |
| H17 | C22 | H18 | H19 | 120.0° | 119.9° |
| H23 | C8 | C9 | H24 | 0.0° | 0.1° |
| H25 | C11 | C12 | H26 | 0.1° | 0.5° |
| H27 | C26 | H28 | H29 | 120.0° | 120.0° |
| H30 | C27 | H31 | H32 | 120.0° | 120.0° |
| H33 | C28 | H34 | H35 | 119.9° | 120.0° |
