48W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | C31 | sing | 1.51Å | 1.50Å | |
| C34 | N26 | sing | 1.46Å | 1.47Å | |
| C31 | O32 | doub | 1.21Å | 1.22Å | |
| C31 | N29 | sing | 1.34Å | 1.37Å | |
| N29 | C28 | sing | 1.47Å | 1.43Å | |
| N29 | C30 | sing | 1.46Å | 1.44Å | |
| C28 | C27 | sing | 1.53Å | 1.51Å | |
| N26 | C27 | sing | 1.46Å | 1.46Å | |
| N26 | C24 | sing | 1.35Å | 1.34Å | |
| O25 | C24 | doub | 1.21Å | 1.22Å | |
| C24 | C2 | sing | 1.51Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C2 | N3 | sing | 1.47Å | 1.44Å | |
| N3 | C4 | sing | 1.47Å | 1.47Å | |
| N3 | C22 | sing | 1.34Å | 1.35Å | |
| C4 | C5 | sing | 1.55Å | 1.51Å | |
| O23 | C22 | doub | 1.21Å | 1.22Å | |
| C22 | C6 | sing | 1.51Å | 1.50Å | |
| C5 | C6 | sing | 1.55Å | 1.52Å | |
| N7 | C6 | sing | 1.46Å | 1.48Å | |
| N7 | S8 | sing | 1.66Å | 1.62Å | |
| C12 | C13 | doub | 1.36Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.37Å | Aromatic |
| O10 | S8 | doub | 1.42Å | 1.44Å | |
| C13 | C14 | sing | 1.41Å | 1.38Å | Aromatic |
| S8 | C11 | sing | 1.76Å | 1.78Å | |
| S8 | O9 | doub | 1.42Å | 1.45Å | |
| C11 | C21 | doub | 1.36Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.41Å | 1.42Å | Aromatic |
| C14 | C20 | sing | 1.42Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.36Å | 1.37Å | Aromatic |
| C21 | C20 | sing | 1.41Å | 1.38Å | Aromatic |
| C20 | C19 | doub | 1.41Å | 1.38Å | Aromatic |
| C16 | CL1 | sing | 1.74Å | 1.73Å | |
| C16 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.36Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| N7 | H10 | sing | 0.97Å | 1.00Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | H16 | sing | 1.08Å | 1.08Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | C33 | C31 | 117.2° | 108.7° |
| C33 | C34 | N26 | 111.4° | 109.8° |
| C34 | C33 | H24 | 107.5° | 109.6° |
| C34 | C33 | H25 | 107.5° | 109.6° |
| C33 | C34 | H26 | 109.0° | 109.4° |
| C33 | C34 | H27 | 109.0° | 109.5° |
| C33 | C31 | O32 | 120.6° | 119.8° |
| C33 | C31 | N29 | 118.5° | 120.5° |
| C31 | C33 | H24 | 107.5° | 109.7° |
| C31 | C33 | H25 | 107.5° | 109.4° |
| C34 | N26 | C27 | 117.5° | 122.5° |
| C34 | N26 | C24 | 120.6° | 118.7° |
| N26 | C34 | H26 | 109.0° | 109.5° |
| N26 | C34 | H27 | 109.0° | 109.2° |
| O32 | C31 | N29 | 120.9° | 119.8° |
| C31 | N29 | C28 | 119.2° | 120.6° |
| C31 | N29 | C30 | 118.6° | 119.7° |
| C28 | N29 | C30 | 116.5° | 119.7° |
| N29 | C28 | C27 | 109.2° | 108.8° |
| N29 | C28 | H19 | 109.5° | 109.6° |
| N29 | C28 | H20 | 109.5° | 109.7° |
| N29 | C30 | H21 | 109.5° | 109.5° |
| N29 | C30 | H22 | 109.5° | 109.5° |
| N29 | C30 | H23 | 109.5° | 109.4° |
| C28 | C27 | N26 | 112.2° | 109.7° |
| C28 | C27 | H17 | 108.8° | 109.4° |
| C28 | C27 | H18 | 108.8° | 109.4° |
| C27 | C28 | H19 | 109.5° | 109.6° |
| C27 | C28 | H20 | 109.5° | 109.6° |
| C27 | N26 | C24 | 121.4° | 118.7° |
| N26 | C27 | H17 | 108.8° | 109.5° |
| N26 | C27 | H18 | 108.8° | 109.5° |
| N26 | C24 | O25 | 119.2° | 120.0° |
| N26 | C24 | C2 | 118.8° | 120.0° |
| O25 | C24 | C2 | 122.0° | 120.0° |
| C24 | C2 | C1 | 108.0° | 109.5° |
| C24 | C2 | N3 | 108.0° | 109.5° |
| C24 | C2 | H4 | 108.7° | 109.5° |
| C1 | C2 | N3 | 113.1° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C1 | C2 | H4 | 109.0° | 109.5° |
| C2 | N3 | C4 | 121.2° | 124.4° |
| C2 | N3 | C22 | 120.6° | 124.3° |
| N3 | C2 | H4 | 110.0° | 109.4° |
| C4 | N3 | C22 | 114.0° | 111.3° |
| N3 | C4 | C5 | 103.7° | 105.5° |
| N3 | C4 | H5 | 110.9° | 110.2° |
| N3 | C4 | H6 | 110.9° | 110.2° |
| N3 | C22 | O23 | 125.7° | 124.9° |
| N3 | C22 | C6 | 108.9° | 110.1° |
| C4 | C5 | C6 | 106.9° | 101.7° |
| C5 | C4 | H5 | 110.9° | 110.2° |
| C5 | C4 | H6 | 110.9° | 110.3° |
| C4 | C5 | H7 | 110.1° | 111.0° |
| C4 | C5 | H8 | 110.1° | 110.9° |
| O23 | C22 | C6 | 125.4° | 125.0° |
| C22 | C6 | C5 | 105.1° | 104.3° |
| C22 | C6 | N7 | 112.5° | 110.8° |
| C22 | C6 | H9 | 107.8° | 110.3° |
| C5 | C6 | N7 | 115.2° | 110.5° |
| C6 | C5 | H7 | 110.1° | 111.0° |
| C6 | C5 | H8 | 110.1° | 111.0° |
| C5 | C6 | H9 | 107.7° | 110.5° |
| C6 | N7 | S8 | 123.4° | 120.0° |
| N7 | C6 | H9 | 108.2° | 110.4° |
| C6 | N7 | H10 | 105.9° | 120.0° |
| N7 | S8 | O10 | 105.8° | 106.4° |
| N7 | S8 | C11 | 107.5° | 107.2° |
| N7 | S8 | O9 | 108.4° | 106.5° |
| S8 | N7 | H10 | 105.9° | 120.0° |
| C13 | C12 | C11 | 118.5° | 121.0° |
| C12 | C13 | C14 | 120.4° | 119.6° |
| C13 | C12 | H11 | 120.7° | 119.5° |
| C12 | C13 | H12 | 119.8° | 120.2° |
| C12 | C11 | S8 | 119.0° | 119.5° |
| C12 | C11 | C21 | 121.8° | 121.0° |
| C11 | C12 | H11 | 120.7° | 119.5° |
| O10 | S8 | C11 | 108.1° | 106.4° |
| O10 | S8 | O9 | 120.0° | 123.1° |
| C13 | C14 | C15 | 120.1° | 121.3° |
| C13 | C14 | C20 | 120.5° | 119.4° |
| C14 | C13 | H12 | 119.8° | 120.2° |
| C11 | S8 | O9 | 106.5° | 106.4° |
| S8 | C11 | C21 | 119.2° | 119.5° |
| C11 | C21 | C20 | 119.2° | 119.7° |
| C11 | C21 | H16 | 120.4° | 120.2° |
| C15 | C14 | C20 | 119.4° | 119.3° |
| C14 | C15 | C16 | 120.0° | 119.6° |
| C14 | C15 | H13 | 120.0° | 120.2° |
| C14 | C20 | C21 | 119.5° | 119.3° |
| C14 | C20 | C19 | 119.7° | 119.4° |
| C15 | C16 | CL1 | 119.6° | 119.5° |
| C15 | C16 | C18 | 119.8° | 121.0° |
| C16 | C15 | H13 | 120.0° | 120.2° |
| C21 | C20 | C19 | 120.9° | 121.3° |
| C20 | C21 | H16 | 120.4° | 120.1° |
| C20 | C19 | C18 | 120.9° | 119.6° |
| C20 | C19 | H15 | 119.5° | 120.1° |
| CL1 | C16 | C18 | 120.6° | 119.5° |
| C16 | C18 | C19 | 120.2° | 121.0° |
| C16 | C18 | H14 | 119.9° | 119.5° |
| C19 | C18 | H14 | 119.9° | 119.5° |
| C18 | C19 | H15 | 119.5° | 120.3° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C4 | H6 | 109.4° | 110.3° |
| H7 | C5 | H8 | 109.5° | 110.9° |
| H17 | C27 | H18 | 109.5° | 109.4° |
| H19 | C28 | H20 | 109.5° | 109.6° |
| H21 | C30 | H22 | 109.5° | 109.5° |
| H21 | C30 | H23 | 109.4° | 109.4° |
| H22 | C30 | H23 | 109.5° | 109.5° |
| H24 | C33 | H25 | 109.5° | 109.7° |
| H26 | C34 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | C33 | C31 | H24 | 121.1° | 119.9° |
| C34 | C33 | C31 | H25 | 121.1° | 119.7° |
| C33 | C34 | N26 | H26 | 120.3° | 120.1° |
| C33 | C34 | N26 | H27 | 120.3° | 120.0° |
| C34 | C33 | C31 | O32 | 122.6° | 108.9° |
| C34 | C33 | C31 | N29 | 57.7° | 71.2° |
| C33 | C34 | N26 | C27 | 74.3° | 63.4° |
| C33 | C34 | N26 | C24 | 97.0° | 116.3° |
| C34 | C33 | H24 | H25 | 116.5° | 120.5° |
| C33 | C34 | H26 | H27 | 119.1° | 120.0° |
| C31 | C33 | C34 | N26 | 6.5° | 79.9° |
| C33 | C31 | O32 | N29 | 179.7° | 179.9° |
| C33 | C31 | N29 | C28 | 16.7° | 0.2° |
| C33 | C31 | N29 | C30 | 169.2° | 179.7° |
| C31 | C33 | H24 | H25 | 116.5° | 120.3° |
| C31 | C33 | C34 | H26 | 113.8° | 159.9° |
| C31 | C33 | C34 | H27 | 126.8° | 39.9° |
| C34 | N26 | C27 | C28 | 33.6° | 63.6° |
| C34 | N26 | C27 | C24 | 171.3° | 179.8° |
| C34 | N26 | C24 | O25 | 2.7° | 175.1° |
| C34 | N26 | C24 | C2 | 176.5° | 4.8° |
| C34 | N26 | C27 | H17 | 154.0° | 56.5° |
| C34 | N26 | C27 | H18 | 86.8° | 176.4° |
| N26 | C34 | C33 | H24 | 114.6° | 160.2° |
| N26 | C34 | C33 | H25 | 127.6° | 39.7° |
| N26 | C34 | H26 | H27 | 119.2° | 119.7° |
| O32 | C31 | N29 | C28 | 163.6° | 179.7° |
| O32 | C31 | N29 | C30 | 11.1° | 0.3° |
| O32 | C31 | C33 | H24 | 1.5° | 11.0° |
| O32 | C31 | C33 | H25 | 116.2° | 131.5° |
| C31 | N29 | C28 | C30 | 153.1° | 180.0° |
| C31 | N29 | C28 | C27 | 68.6° | 71.9° |
| C31 | N29 | C28 | H19 | 171.4° | 168.3° |
| C31 | N29 | C28 | H20 | 51.3° | 47.9° |
| C31 | N29 | C30 | H21 | 180.0° | 90.1° |
| C31 | N29 | C30 | H22 | 60.0° | 30.0° |
| C31 | N29 | C30 | H23 | 60.0° | 150.0° |
| N29 | C31 | C33 | H24 | 178.8° | 168.9° |
| N29 | C31 | C33 | H25 | 63.4° | 48.5° |
| N29 | C28 | C27 | H19 | 120.0° | 119.8° |
| N29 | C28 | C27 | H20 | 120.0° | 119.9° |
| N29 | C28 | C27 | N26 | 60.0° | 81.6° |
| N29 | C28 | C27 | H17 | 60.4° | 38.5° |
| N29 | C28 | C27 | H18 | 179.6° | 158.3° |
| N29 | C28 | H19 | H20 | 120.1° | 120.4° |
| C28 | N29 | C30 | H21 | 26.7° | 90.0° |
| C28 | N29 | C30 | H22 | 93.3° | 149.9° |
| C28 | N29 | C30 | H23 | 146.7° | 30.0° |
| C30 | N29 | C28 | C27 | 84.5° | 108.0° |
| C30 | N29 | C28 | H19 | 35.5° | 11.8° |
| C30 | N29 | C28 | H20 | 155.6° | 132.1° |
| N29 | C30 | H21 | H22 | 120.0° | 120.1° |
| N29 | C30 | H21 | H23 | 120.0° | 119.9° |
| N29 | C30 | H22 | H23 | 120.0° | 120.0° |
| C28 | C27 | N26 | H17 | 120.4° | 120.1° |
| C28 | C27 | N26 | H18 | 120.4° | 120.0° |
| C28 | C27 | N26 | C24 | 137.7° | 116.2° |
| C28 | C27 | H17 | H18 | 118.7° | 119.8° |
| C27 | C28 | H19 | H20 | 120.1° | 120.3° |
| C27 | N26 | C24 | O25 | 168.3° | 5.1° |
| C27 | N26 | C24 | C2 | 12.5° | 175.0° |
| N26 | C27 | H17 | H18 | 118.7° | 119.9° |
| N26 | C27 | C28 | H19 | 179.9° | 158.6° |
| N26 | C27 | C28 | H20 | 60.0° | 38.3° |
| C27 | N26 | C34 | H26 | 45.9° | 176.4° |
| C27 | N26 | C34 | H27 | 165.4° | 56.6° |
| N26 | C24 | O25 | C2 | 179.2° | 180.0° |
| N26 | C24 | C2 | C1 | 102.6° | 82.1° |
| N26 | C24 | C2 | N3 | 134.7° | 157.9° |
| N26 | C24 | C2 | H4 | 15.5° | 38.0° |
| C24 | N26 | C27 | H17 | 17.3° | 123.7° |
| C24 | N26 | C27 | H18 | 101.9° | 3.9° |
| C24 | N26 | C34 | H26 | 142.7° | 3.8° |
| C24 | N26 | C34 | H27 | 23.3° | 123.7° |
| O25 | C24 | C2 | C1 | 78.2° | 97.9° |
| O25 | C24 | C2 | N3 | 44.5° | 22.1° |
| O25 | C24 | C2 | H4 | 163.7° | 142.1° |
| C24 | C2 | C1 | N3 | 119.5° | 120.0° |
| C24 | C2 | C1 | H4 | 117.9° | 120.0° |
| C24 | C2 | N3 | H4 | 118.5° | 120.0° |
| C24 | C2 | N3 | C4 | 85.1° | 120.0° |
| C24 | C2 | N3 | C22 | 119.5° | 59.7° |
| C24 | C2 | C1 | H1 | 180.0° | 174.5° |
| C24 | C2 | C1 | H2 | 60.0° | 54.4° |
| C24 | C2 | C1 | H3 | 60.0° | 65.6° |
| C1 | C2 | N3 | H4 | 122.0° | 120.0° |
| C1 | C2 | N3 | C4 | 34.4° | 120.0° |
| C1 | C2 | N3 | C22 | 121.0° | 60.3° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C2 | N3 | C4 | C22 | 156.9° | 179.7° |
| C2 | N3 | C4 | C5 | 166.3° | 163.0° |
| C2 | N3 | C22 | O23 | 19.3° | 0.4° |
| C2 | N3 | C22 | C6 | 159.7° | 179.4° |
| N3 | C2 | C1 | H1 | 60.5° | 54.5° |
| N3 | C2 | C1 | H2 | 59.5° | 65.6° |
| N3 | C2 | C1 | H3 | 179.5° | 174.4° |
| C2 | N3 | C4 | H5 | 74.6° | 44.0° |
| C2 | N3 | C4 | H6 | 47.2° | 78.0° |
| N3 | C4 | C5 | H5 | 119.1° | 119.0° |
| N3 | C4 | C5 | H6 | 119.1° | 119.0° |
| C4 | N3 | C22 | O23 | 176.4° | 179.3° |
| C4 | N3 | C22 | C6 | 2.6° | 0.9° |
| N3 | C4 | C5 | C6 | 12.1° | 25.4° |
| C4 | N3 | C2 | H4 | 156.5° | 0.0° |
| N3 | C4 | H5 | H6 | 122.7° | 122.0° |
| N3 | C4 | C5 | H7 | 107.5° | 92.7° |
| N3 | C4 | C5 | H8 | 131.7° | 143.5° |
| C22 | N3 | C4 | C5 | 9.4° | 17.3° |
| N3 | C22 | O23 | C6 | 178.8° | 179.8° |
| N3 | C22 | C6 | C5 | 5.4° | 15.8° |
| N3 | C22 | C6 | N7 | 131.5° | 134.7° |
| C22 | N3 | C2 | H4 | 1.1° | 179.7° |
| C22 | N3 | C4 | H5 | 128.5° | 136.3° |
| C22 | N3 | C4 | H6 | 109.7° | 101.7° |
| N3 | C22 | C6 | H9 | 109.3° | 102.8° |
| C4 | C5 | C6 | C22 | 10.9° | 24.6° |
| C4 | C5 | C6 | H7 | 119.6° | 118.1° |
| C4 | C5 | C6 | H8 | 119.6° | 118.1° |
| C4 | C5 | C6 | N7 | 135.3° | 143.6° |
| C5 | C4 | H5 | H6 | 122.7° | 122.0° |
| C4 | C5 | H7 | H8 | 121.2° | 123.8° |
| C4 | C5 | C6 | H9 | 103.9° | 93.9° |
| O23 | C22 | C6 | C5 | 175.6° | 164.0° |
| O23 | C22 | C6 | N7 | 49.5° | 45.1° |
| O23 | C22 | C6 | H9 | 69.7° | 77.4° |
| C22 | C6 | C5 | N7 | 124.5° | 119.1° |
| C22 | C6 | C5 | H9 | 114.7° | 118.5° |
| C22 | C6 | N7 | H9 | 119.0° | 122.5° |
| C22 | C6 | N7 | S8 | 118.7° | 99.9° |
| C22 | C6 | C5 | H7 | 108.7° | 93.5° |
| C22 | C6 | C5 | H8 | 130.5° | 142.7° |
| C22 | C6 | N7 | H10 | 3.2° | 80.0° |
| C5 | C6 | N7 | H9 | 120.5° | 122.5° |
| C5 | C6 | N7 | S8 | 120.8° | 145.0° |
| C6 | C5 | C4 | H5 | 131.2° | 144.4° |
| C6 | C5 | C4 | H6 | 107.0° | 93.6° |
| C6 | C5 | H7 | H8 | 121.2° | 123.9° |
| C5 | C6 | N7 | H10 | 117.3° | 35.1° |
| C6 | N7 | S8 | H10 | 121.9° | 179.9° |
| C6 | N7 | S8 | O10 | 179.3° | 48.6° |
| C6 | N7 | S8 | C11 | 64.1° | 64.9° |
| C6 | N7 | S8 | O9 | 50.8° | 178.5° |
| N7 | C6 | C5 | H7 | 15.7° | 25.5° |
| N7 | C6 | C5 | H8 | 105.1° | 98.3° |
| N7 | S8 | C11 | C12 | 73.0° | 89.7° |
| N7 | S8 | O10 | C11 | 114.9° | 114.1° |
| N7 | S8 | O10 | O9 | 122.8° | 123.0° |
| N7 | S8 | C11 | O9 | 116.1° | 113.6° |
| N7 | S8 | C11 | C21 | 106.5° | 90.1° |
| S8 | N7 | C6 | H9 | 0.3° | 22.5° |
| C13 | C12 | C11 | H11 | 180.0° | 180.0° |
| C12 | C13 | C14 | H12 | 180.0° | 180.0° |
| C13 | C12 | C11 | S8 | 179.5° | 180.0° |
| C13 | C12 | C11 | C21 | 0.0° | 0.2° |
| C12 | C13 | C14 | C15 | 179.9° | 180.0° |
| C12 | C13 | C14 | C20 | 0.1° | 0.0° |
| C12 | C11 | S8 | O10 | 40.8° | 23.8° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C12 | C11 | S8 | C21 | 179.5° | 179.8° |
| C12 | C11 | S8 | O9 | 170.9° | 156.7° |
| C12 | C11 | C21 | C20 | 0.1° | 0.4° |
| C11 | C12 | C13 | H12 | 179.9° | 180.0° |
| C12 | C11 | C21 | H16 | 179.9° | 179.8° |
| O10 | S8 | C11 | O9 | 130.2° | 132.9° |
| O10 | S8 | C11 | C21 | 139.8° | 156.4° |
| O10 | S8 | N7 | H10 | 57.4° | 131.5° |
| C13 | C14 | C15 | C20 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 179.9° | 180.0° |
| C13 | C14 | C20 | C21 | 0.0° | 0.2° |
| C13 | C14 | C20 | C19 | 179.7° | 180.0° |
| C14 | C13 | C12 | H11 | 179.9° | 180.0° |
| C13 | C14 | C15 | H13 | 0.1° | 0.1° |
| S8 | C11 | C21 | C20 | 179.6° | 179.8° |
| C11 | S8 | N7 | H10 | 57.9° | 115.0° |
| S8 | C11 | C12 | H11 | 0.5° | 0.0° |
| S8 | C11 | C21 | H16 | 0.4° | 0.0° |
| O9 | S8 | C11 | C21 | 9.6° | 23.6° |
| O9 | S8 | N7 | H10 | 172.7° | 1.4° |
| C11 | C21 | C20 | C14 | 0.1° | 0.4° |
| C11 | C21 | C20 | H16 | 180.0° | 179.8° |
| C11 | C21 | C20 | C19 | 179.6° | 179.8° |
| C21 | C11 | C12 | H11 | 180.0° | 179.8° |
| C14 | C15 | C16 | H13 | 180.0° | 180.0° |
| C15 | C14 | C20 | C21 | 180.0° | 179.7° |
| C15 | C14 | C20 | C19 | 0.3° | 0.0° |
| C14 | C15 | C16 | CL1 | 179.5° | 180.0° |
| C14 | C15 | C16 | C18 | 0.4° | 0.0° |
| C15 | C14 | C13 | H12 | 0.1° | 0.0° |
| C20 | C14 | C15 | C16 | 0.1° | 0.0° |
| C14 | C20 | C21 | C19 | 179.7° | 179.8° |
| C14 | C20 | C19 | C18 | 0.3° | 0.1° |
| C20 | C14 | C13 | H12 | 179.8° | 180.0° |
| C20 | C14 | C15 | H13 | 179.9° | 180.0° |
| C14 | C20 | C19 | H15 | 179.7° | 180.0° |
| C14 | C20 | C21 | H16 | 179.9° | 179.8° |
| C15 | C16 | CL1 | C18 | 179.9° | 179.9° |
| C15 | C16 | C18 | C19 | 0.4° | 0.1° |
| C15 | C16 | C18 | H14 | 179.7° | 180.0° |
| C21 | C20 | C19 | C18 | 180.0° | 179.7° |
| C21 | C20 | C19 | H15 | 0.0° | 0.3° |
| C20 | C19 | C18 | C16 | 0.0° | 0.1° |
| C20 | C19 | C18 | H15 | 180.0° | 180.0° |
| C20 | C19 | C18 | H14 | 180.0° | 179.9° |
| C19 | C20 | C21 | H16 | 0.4° | 0.0° |
| CL1 | C16 | C18 | C19 | 179.5° | 180.0° |
| CL1 | C16 | C15 | H13 | 0.5° | 0.1° |
| CL1 | C16 | C18 | H14 | 0.4° | 0.0° |
| C16 | C18 | C19 | H14 | 180.0° | 180.0° |
| C18 | C16 | C15 | H13 | 179.6° | 180.0° |
| C16 | C18 | C19 | H15 | 179.9° | 179.9° |
| H1 | C1 | H2 | H3 | 120.0° | 119.9° |
| H1 | C1 | C2 | H4 | 62.1° | 65.5° |
| H2 | C1 | C2 | H4 | 177.9° | 174.4° |
| H3 | C1 | C2 | H4 | 57.9° | 54.4° |
| H5 | C4 | C5 | H7 | 11.6° | 26.3° |
| H5 | C4 | C5 | H8 | 109.2° | 97.5° |
| H6 | C4 | C5 | H7 | 133.4° | 148.3° |
| H6 | C4 | C5 | H8 | 12.6° | 24.5° |
| H7 | C5 | C6 | H9 | 136.6° | 148.0° |
| H8 | C5 | C6 | H9 | 15.8° | 24.2° |
| H9 | C6 | N7 | H10 | 122.2° | 157.5° |
| H11 | C12 | C13 | H12 | 0.1° | 0.0° |
| H14 | C18 | C19 | H15 | 0.0° | 0.0° |
| H17 | C27 | C28 | H19 | 59.5° | 81.3° |
| H17 | C27 | C28 | H20 | 179.6° | 158.4° |
| H18 | C27 | C28 | H19 | 59.7° | 38.5° |
| H18 | C27 | C28 | H20 | 60.4° | 81.7° |
| H21 | C30 | H22 | H23 | 119.9° | 120.0° |
| H24 | C33 | C34 | H26 | 125.1° | 40.0° |
| H24 | C33 | C34 | H27 | 5.7° | 80.0° |
| H25 | C33 | C34 | H26 | 7.3° | 80.5° |
| H25 | C33 | C34 | H27 | 112.1° | 159.5° |
