3SX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| O20 | C19 | doub | 1.21Å | 1.22Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C4 | sing | 1.53Å | 1.54Å | |
| C19 | C21 | sing | 1.51Å | 1.51Å | |
| C19 | N16 | sing | 1.35Å | 1.35Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C15 | N16 | sing | 1.47Å | 1.48Å | |
| C14 | N13 | sing | 1.47Å | 1.47Å | |
| C4 | N5 | sing | 1.46Å | 1.48Å | |
| N16 | C17 | sing | 1.47Å | 1.48Å | |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| N13 | C10 | sing | 1.40Å | 1.41Å | |
| N13 | C18 | sing | 1.47Å | 1.48Å | |
| N5 | C6 | sing | 1.46Å | 1.48Å | |
| N5 | S22 | sing | 1.66Å | 1.66Å | |
| C10 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| O24 | S22 | doub | 1.42Å | 1.43Å | |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| S22 | C25 | sing | 1.81Å | 1.83Å | |
| S22 | O23 | doub | 1.42Å | 1.43Å | |
| C25 | C26 | sing | 1.51Å | 1.52Å | |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.08Å | 1.08Å | |
| C28 | H30 | sing | 1.08Å | 1.08Å | |
| C29 | H31 | sing | 1.08Å | 1.08Å | |
| C30 | H32 | sing | 1.08Å | 1.08Å | |
| C31 | H33 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 108.7° | 109.4° |
| C1 | C2 | C4 | 110.4° | 109.5° |
| C2 | C1 | H14 | 109.5° | 109.5° |
| C2 | C1 | H15 | 109.4° | 109.5° |
| C2 | C1 | H16 | 109.5° | 109.5° |
| C1 | C2 | H17 | 107.7° | 109.4° |
| O20 | C19 | C21 | 119.4° | 120.0° |
| O20 | C19 | N16 | 119.4° | 120.0° |
| C3 | C2 | C4 | 114.3° | 109.5° |
| C2 | C3 | H11 | 109.5° | 109.5° |
| C2 | C3 | H12 | 109.5° | 109.5° |
| C2 | C3 | H13 | 109.5° | 109.5° |
| C3 | C2 | H17 | 107.8° | 109.5° |
| C2 | C4 | N5 | 115.6° | 109.5° |
| C2 | C4 | H1 | 107.9° | 109.4° |
| C2 | C4 | H2 | 107.9° | 109.5° |
| C4 | C2 | H17 | 107.7° | 109.5° |
| C21 | C19 | N16 | 121.2° | 120.0° |
| C19 | C21 | H24 | 109.5° | 109.5° |
| C19 | C21 | H25 | 109.5° | 109.4° |
| C19 | C21 | H26 | 109.5° | 109.5° |
| C19 | N16 | C15 | 120.1° | 120.9° |
| C19 | N16 | C17 | 122.7° | 120.9° |
| C14 | C15 | N16 | 105.6° | 108.5° |
| C15 | C14 | N13 | 108.3° | 109.3° |
| C15 | C14 | H3 | 109.8° | 109.5° |
| C15 | C14 | H4 | 109.8° | 109.6° |
| C14 | C15 | H18 | 110.4° | 109.6° |
| C14 | C15 | H19 | 110.4° | 109.6° |
| C15 | N16 | C17 | 117.1° | 118.2° |
| N16 | C15 | H18 | 110.4° | 109.6° |
| N16 | C15 | H19 | 110.4° | 109.6° |
| C14 | N13 | C10 | 112.1° | 111.0° |
| C14 | N13 | C18 | 111.8° | 111.3° |
| N13 | C14 | H3 | 109.8° | 109.5° |
| N13 | C14 | H4 | 109.8° | 109.5° |
| C4 | N5 | C6 | 123.4° | 120.0° |
| C4 | N5 | S22 | 121.3° | 120.0° |
| N5 | C4 | H1 | 107.9° | 109.4° |
| N5 | C4 | H2 | 107.9° | 109.5° |
| N16 | C17 | C18 | 107.9° | 108.5° |
| N16 | C17 | H20 | 109.9° | 109.6° |
| N16 | C17 | H21 | 109.8° | 109.6° |
| C12 | C11 | C10 | 120.5° | 119.9° |
| C11 | C12 | C7 | 119.9° | 120.1° |
| C12 | C11 | H7 | 119.7° | 120.0° |
| C11 | C12 | H10 | 120.1° | 119.9° |
| C11 | C10 | N13 | 118.1° | 120.1° |
| C11 | C10 | C9 | 119.4° | 119.8° |
| C10 | C11 | H7 | 119.7° | 120.1° |
| C12 | C7 | C6 | 118.3° | 119.9° |
| C12 | C7 | C8 | 120.5° | 120.2° |
| C7 | C12 | H10 | 120.1° | 120.0° |
| C10 | N13 | C18 | 115.1° | 111.0° |
| N13 | C10 | C9 | 122.5° | 120.1° |
| N13 | C18 | C17 | 108.6° | 109.3° |
| N13 | C18 | H22 | 109.7° | 109.5° |
| N13 | C18 | H23 | 109.7° | 109.5° |
| C6 | N5 | S22 | 111.4° | 120.1° |
| N5 | C6 | C7 | 110.5° | 109.4° |
| N5 | C6 | H5 | 109.2° | 109.5° |
| N5 | C6 | H6 | 109.2° | 109.5° |
| N5 | S22 | O24 | 106.8° | 104.3° |
| N5 | S22 | C25 | 101.9° | 104.5° |
| N5 | S22 | O23 | 105.4° | 104.2° |
| C10 | C9 | C8 | 120.0° | 119.9° |
| C10 | C9 | H9 | 120.0° | 120.0° |
| C18 | C17 | H20 | 109.8° | 109.6° |
| C18 | C17 | H21 | 109.9° | 109.6° |
| C17 | C18 | H22 | 109.7° | 109.5° |
| C17 | C18 | H23 | 109.7° | 109.5° |
| O24 | S22 | C25 | 111.4° | 110.6° |
| O24 | S22 | O23 | 119.6° | 121.0° |
| C6 | C7 | C8 | 121.2° | 119.9° |
| C7 | C6 | H5 | 109.2° | 109.5° |
| C7 | C6 | H6 | 109.2° | 109.5° |
| C7 | C8 | C9 | 119.7° | 120.1° |
| C7 | C8 | H8 | 120.2° | 120.0° |
| C9 | C8 | H8 | 120.1° | 119.9° |
| C8 | C9 | H9 | 120.0° | 120.0° |
| C25 | S22 | O23 | 110.0° | 110.5° |
| S22 | C25 | C26 | 116.0° | 109.5° |
| S22 | C25 | H27 | 107.8° | 109.4° |
| S22 | C25 | H28 | 107.8° | 109.5° |
| C25 | C26 | C27 | 120.6° | 120.0° |
| C25 | C26 | C31 | 120.6° | 120.0° |
| C26 | C25 | H27 | 107.8° | 109.4° |
| C26 | C25 | H28 | 107.8° | 109.5° |
| C26 | C27 | C28 | 120.3° | 120.0° |
| C27 | C26 | C31 | 118.8° | 120.0° |
| C26 | C27 | H29 | 119.9° | 120.0° |
| C27 | C28 | C29 | 120.5° | 120.0° |
| C28 | C27 | H29 | 119.9° | 120.0° |
| C27 | C28 | H30 | 119.7° | 120.0° |
| C26 | C31 | C30 | 121.0° | 120.0° |
| C26 | C31 | H33 | 119.5° | 120.0° |
| C28 | C29 | C30 | 119.6° | 120.0° |
| C29 | C28 | H30 | 119.7° | 120.0° |
| C28 | C29 | H31 | 120.2° | 120.0° |
| C31 | C30 | C29 | 119.8° | 120.0° |
| C31 | C30 | H32 | 120.1° | 120.0° |
| C30 | C31 | H33 | 119.5° | 120.0° |
| C30 | C29 | H31 | 120.2° | 120.0° |
| C29 | C30 | H32 | 120.1° | 120.0° |
| H1 | C4 | H2 | 109.4° | 109.4° |
| H3 | C14 | H4 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.4° |
| H11 | C3 | H12 | 109.5° | 109.4° |
| H11 | C3 | H13 | 109.5° | 109.5° |
| H12 | C3 | H13 | 109.5° | 109.4° |
| H14 | C1 | H15 | 109.5° | 109.4° |
| H14 | C1 | H16 | 109.5° | 109.5° |
| H15 | C1 | H16 | 109.5° | 109.4° |
| H18 | C15 | H19 | 109.5° | 109.8° |
| H20 | C17 | H21 | 109.5° | 109.8° |
| H22 | C18 | H23 | 109.4° | 109.5° |
| H24 | C21 | H25 | 109.5° | 109.5° |
| H24 | C21 | H26 | 109.5° | 109.5° |
| H25 | C21 | H26 | 109.5° | 109.5° |
| H27 | C25 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C4 | 123.8° | 120.0° |
| C1 | C2 | C3 | H17 | 116.5° | 119.9° |
| C1 | C2 | C4 | H17 | 117.4° | 120.0° |
| C1 | C2 | C4 | N5 | 144.6° | 64.9° |
| C1 | C2 | C4 | H1 | 23.7° | 55.0° |
| C1 | C2 | C4 | H2 | 94.5° | 175.0° |
| C1 | C2 | C3 | H11 | 180.0° | 60.0° |
| C1 | C2 | C3 | H12 | 60.0° | 180.0° |
| C1 | C2 | C3 | H13 | 60.0° | 60.0° |
| C2 | C1 | H14 | H15 | 120.0° | 120.0° |
| C2 | C1 | H14 | H16 | 120.0° | 120.1° |
| C2 | C1 | H15 | H16 | 120.0° | 120.0° |
| O20 | C19 | C21 | N16 | 179.7° | 179.9° |
| O20 | C19 | N16 | C15 | 0.8° | 174.6° |
| O20 | C19 | N16 | C17 | 179.5° | 5.5° |
| O20 | C19 | C21 | H24 | 0.0° | 85.2° |
| O20 | C19 | C21 | H25 | 120.0° | 34.8° |
| O20 | C19 | C21 | H26 | 120.0° | 154.8° |
| C3 | C2 | C4 | H17 | 119.7° | 120.0° |
| C3 | C2 | C4 | N5 | 21.7° | 175.1° |
| C3 | C2 | C4 | H1 | 99.2° | 65.0° |
| C3 | C2 | C4 | H2 | 142.6° | 55.0° |
| C2 | C3 | H11 | H12 | 120.0° | 120.0° |
| C2 | C3 | H11 | H13 | 120.0° | 120.1° |
| C2 | C3 | H12 | H13 | 120.0° | 120.0° |
| C3 | C2 | C1 | H14 | 180.0° | 179.9° |
| C3 | C2 | C1 | H15 | 60.0° | 60.0° |
| C3 | C2 | C1 | H16 | 60.0° | 60.0° |
| C2 | C4 | N5 | H1 | 120.9° | 120.0° |
| C2 | C4 | N5 | H2 | 120.9° | 120.0° |
| C2 | C4 | N5 | C6 | 101.0° | 85.0° |
| C2 | C4 | N5 | S22 | 102.9° | 95.0° |
| C2 | C4 | H1 | H2 | 117.2° | 119.9° |
| C4 | C2 | C3 | H11 | 56.2° | 179.9° |
| C4 | C2 | C3 | H12 | 176.2° | 60.0° |
| C4 | C2 | C3 | H13 | 63.8° | 60.0° |
| C4 | C2 | C1 | H14 | 53.9° | 60.0° |
| C4 | C2 | C1 | H15 | 66.1° | 180.0° |
| C4 | C2 | C1 | H16 | 173.9° | 60.1° |
| C21 | C19 | N16 | C15 | 178.8° | 5.4° |
| C21 | C19 | N16 | C17 | 0.2° | 174.6° |
| C19 | C21 | H24 | H25 | 120.0° | 119.9° |
| C19 | C21 | H24 | H26 | 120.0° | 120.0° |
| C19 | C21 | H25 | H26 | 120.0° | 119.9° |
| C19 | N16 | C15 | C14 | 120.9° | 128.8° |
| C19 | N16 | C15 | C17 | 178.7° | 180.0° |
| C19 | N16 | C17 | C18 | 123.1° | 128.8° |
| C19 | N16 | C15 | H18 | 119.8° | 111.5° |
| C19 | N16 | C15 | H19 | 1.5° | 9.1° |
| C19 | N16 | C17 | H20 | 117.2° | 111.4° |
| C19 | N16 | C17 | H21 | 3.3° | 9.1° |
| N16 | C19 | C21 | H24 | 179.7° | 94.7° |
| N16 | C19 | C21 | H25 | 59.7° | 145.3° |
| N16 | C19 | C21 | H26 | 60.3° | 25.3° |
| C14 | C15 | N16 | H18 | 119.4° | 119.7° |
| C14 | C15 | N16 | H19 | 119.4° | 119.7° |
| C15 | C14 | N13 | H3 | 119.8° | 120.0° |
| C15 | C14 | N13 | H4 | 119.8° | 120.0° |
| C14 | C15 | N16 | C17 | 57.8° | 51.2° |
| C15 | C14 | N13 | C10 | 163.5° | 172.7° |
| C15 | C14 | N13 | C18 | 65.5° | 63.1° |
| C15 | C14 | H3 | H4 | 120.6° | 120.1° |
| C14 | C15 | H18 | H19 | 121.8° | 120.5° |
| N16 | C15 | C14 | N13 | 58.8° | 53.8° |
| C15 | N16 | C17 | C18 | 55.6° | 51.2° |
| N16 | C15 | C14 | H3 | 61.0° | 173.8° |
| N16 | C15 | C14 | H4 | 178.7° | 66.1° |
| N16 | C15 | H18 | H19 | 121.8° | 120.5° |
| C15 | N16 | C17 | H20 | 64.2° | 68.5° |
| C15 | N16 | C17 | H21 | 175.3° | 170.9° |
| C14 | N13 | C10 | C11 | 31.6° | 180.0° |
| C14 | N13 | C10 | C18 | 129.3° | 124.3° |
| C14 | N13 | C10 | C9 | 149.0° | 0.1° |
| C14 | N13 | C18 | C17 | 62.0° | 63.1° |
| N13 | C14 | H3 | H4 | 120.6° | 120.0° |
| N13 | C14 | C15 | H18 | 60.5° | 65.9° |
| N13 | C14 | C15 | H19 | 178.2° | 173.5° |
| C14 | N13 | C18 | H22 | 57.9° | 56.9° |
| C14 | N13 | C18 | H23 | 178.1° | 176.9° |
| C4 | N5 | C6 | S22 | 158.2° | 180.0° |
| C4 | N5 | S22 | O24 | 15.5° | 26.1° |
| C4 | N5 | C6 | C7 | 48.9° | 85.0° |
| C4 | N5 | S22 | C25 | 101.5° | 90.0° |
| C4 | N5 | S22 | O23 | 143.7° | 153.9° |
| N5 | C4 | H1 | H2 | 117.2° | 120.1° |
| C4 | N5 | C6 | H5 | 169.1° | 35.0° |
| C4 | N5 | C6 | H6 | 71.2° | 155.0° |
| N5 | C4 | C2 | H17 | 98.0° | 55.0° |
| N16 | C17 | C18 | N13 | 53.2° | 53.8° |
| N16 | C17 | C18 | H20 | 119.8° | 119.7° |
| N16 | C17 | C18 | H21 | 119.7° | 119.7° |
| C17 | N16 | C15 | H18 | 61.5° | 68.5° |
| C17 | N16 | C15 | H19 | 177.2° | 170.9° |
| N16 | C17 | H20 | H21 | 120.7° | 120.5° |
| N16 | C17 | C18 | H22 | 66.7° | 66.1° |
| N16 | C17 | C18 | H23 | 173.1° | 173.8° |
| C12 | C11 | C10 | H7 | 180.0° | 179.6° |
| C11 | C12 | C7 | H10 | 180.0° | 179.9° |
| C12 | C11 | C10 | N13 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 0.6° | 0.1° |
| C11 | C12 | C7 | C6 | 179.9° | 179.9° |
| C11 | C12 | C7 | C8 | 0.2° | 0.1° |
| C10 | C11 | C12 | C7 | 0.3° | 0.1° |
| C11 | C10 | N13 | C9 | 179.4° | 179.9° |
| C11 | C10 | N13 | C18 | 160.9° | 55.7° |
| C11 | C10 | C9 | C8 | 0.8° | 0.1° |
| C11 | C10 | C9 | H9 | 179.3° | 180.0° |
| C10 | C11 | C12 | H10 | 179.7° | 180.0° |
| C12 | C7 | C6 | N5 | 101.1° | 90.0° |
| C12 | C7 | C6 | C8 | 179.8° | 180.0° |
| C12 | C7 | C8 | C9 | 0.3° | 0.0° |
| C12 | C7 | C6 | H5 | 138.7° | 30.0° |
| C12 | C7 | C6 | H6 | 19.0° | 149.9° |
| C7 | C12 | C11 | H7 | 179.7° | 179.7° |
| C12 | C7 | C8 | H8 | 179.7° | 180.0° |
| C10 | N13 | C18 | C17 | 168.6° | 172.8° |
| N13 | C10 | C9 | C8 | 179.9° | 180.0° |
| C10 | N13 | C14 | H3 | 76.6° | 52.8° |
| C10 | N13 | C14 | H4 | 43.7° | 67.3° |
| N13 | C10 | C11 | H7 | 0.0° | 0.4° |
| N13 | C10 | C9 | H9 | 0.1° | 0.1° |
| C10 | N13 | C18 | H22 | 71.5° | 67.3° |
| C10 | N13 | C18 | H23 | 48.7° | 52.8° |
| C18 | N13 | C10 | C9 | 19.7° | 124.2° |
| N13 | C18 | C17 | H22 | 119.9° | 120.0° |
| N13 | C18 | C17 | H23 | 119.9° | 119.9° |
| C18 | N13 | C14 | H3 | 54.3° | 176.9° |
| C18 | N13 | C14 | H4 | 174.7° | 56.9° |
| N13 | C18 | C17 | H20 | 66.6° | 65.9° |
| N13 | C18 | C17 | H21 | 172.9° | 173.6° |
| N13 | C18 | H22 | H23 | 120.4° | 120.1° |
| C6 | N5 | S22 | O24 | 143.2° | 153.9° |
| N5 | C6 | C7 | H5 | 120.2° | 120.0° |
| N5 | C6 | C7 | H6 | 120.2° | 120.0° |
| N5 | C6 | C7 | C8 | 78.6° | 90.0° |
| C6 | N5 | S22 | C25 | 99.9° | 89.9° |
| C6 | N5 | S22 | O23 | 15.0° | 26.1° |
| C6 | N5 | C4 | H1 | 19.9° | 155.0° |
| C6 | N5 | C4 | H2 | 138.0° | 35.0° |
| N5 | C6 | H5 | H6 | 119.5° | 120.0° |
| N5 | S22 | O24 | C25 | 110.5° | 111.8° |
| N5 | S22 | O24 | O23 | 119.3° | 116.7° |
| S22 | N5 | C6 | C7 | 109.2° | 95.0° |
| N5 | S22 | C25 | O23 | 111.4° | 111.6° |
| N5 | S22 | C25 | C26 | 178.3° | 180.0° |
| S22 | N5 | C4 | H1 | 136.2° | 25.0° |
| S22 | N5 | C4 | H2 | 18.0° | 145.0° |
| S22 | N5 | C6 | H5 | 10.9° | 144.9° |
| S22 | N5 | C6 | H6 | 130.6° | 25.0° |
| N5 | S22 | C25 | H27 | 60.7° | 60.1° |
| N5 | S22 | C25 | H28 | 57.4° | 60.0° |
| C10 | C9 | C8 | C7 | 0.6° | 0.0° |
| C10 | C9 | C8 | H9 | 180.0° | 180.0° |
| C9 | C10 | C11 | H7 | 179.4° | 179.7° |
| C10 | C9 | C8 | H8 | 179.4° | 180.0° |
| C18 | C17 | H20 | H21 | 120.7° | 120.4° |
| C17 | C18 | H22 | H23 | 120.4° | 120.1° |
| O24 | S22 | C25 | O23 | 135.0° | 136.7° |
| O24 | S22 | C25 | C26 | 68.1° | 68.3° |
| O24 | S22 | C25 | H27 | 52.9° | 51.6° |
| O24 | S22 | C25 | H28 | 171.0° | 171.7° |
| C6 | C7 | C8 | C9 | 179.9° | 180.0° |
| C7 | C6 | H5 | H6 | 119.5° | 120.0° |
| C6 | C7 | C8 | H8 | 0.1° | 0.0° |
| C6 | C7 | C12 | H10 | 0.0° | 0.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C8 | C7 | C6 | H5 | 41.5° | 150.0° |
| C8 | C7 | C6 | H6 | 161.2° | 30.0° |
| C7 | C8 | C9 | H9 | 179.4° | 180.0° |
| C8 | C7 | C12 | H10 | 179.8° | 180.0° |
| S22 | C25 | C26 | H27 | 121.0° | 119.9° |
| S22 | C25 | C26 | H28 | 120.9° | 120.0° |
| S22 | C25 | C26 | C27 | 89.0° | 89.8° |
| S22 | C25 | C26 | C31 | 93.1° | 89.9° |
| S22 | C25 | H27 | H28 | 117.0° | 120.1° |
| O23 | S22 | C25 | C26 | 66.9° | 68.4° |
| O23 | S22 | C25 | H27 | 172.1° | 171.7° |
| O23 | S22 | C25 | H28 | 54.0° | 51.6° |
| C25 | C26 | C27 | C31 | 178.0° | 179.7° |
| C25 | C26 | C27 | C28 | 179.1° | 180.0° |
| C25 | C26 | C31 | C30 | 179.0° | 179.8° |
| C26 | C25 | H27 | H28 | 117.1° | 120.0° |
| C25 | C26 | C27 | H29 | 0.9° | 0.0° |
| C25 | C26 | C31 | H33 | 1.0° | 0.1° |
| C26 | C27 | C28 | H29 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.8° | 0.0° |
| C27 | C26 | C31 | C30 | 1.0° | 0.5° |
| C27 | C26 | C25 | H27 | 32.0° | 150.3° |
| C27 | C26 | C25 | H28 | 150.1° | 30.3° |
| C26 | C27 | C28 | H30 | 179.2° | 179.9° |
| C27 | C26 | C31 | H33 | 179.0° | 179.8° |
| C28 | C27 | C26 | C31 | 1.2° | 0.3° |
| C27 | C28 | C29 | H30 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 0.3° | 0.1° |
| C27 | C28 | C29 | H31 | 179.7° | 179.9° |
| C26 | C31 | C30 | H33 | 180.0° | 179.7° |
| C26 | C31 | C30 | C29 | 0.5° | 0.4° |
| C31 | C26 | C25 | H27 | 145.9° | 30.0° |
| C31 | C26 | C25 | H28 | 27.8° | 150.0° |
| C31 | C26 | C27 | H29 | 178.8° | 179.7° |
| C26 | C31 | C30 | H32 | 179.5° | 179.7° |
| C28 | C29 | C30 | C31 | 0.1° | 0.1° |
| C28 | C29 | C30 | H31 | 180.0° | 180.0° |
| C29 | C28 | C27 | H29 | 179.2° | 180.0° |
| C28 | C29 | C30 | H32 | 179.9° | 180.0° |
| C31 | C30 | C29 | H32 | 180.0° | 179.8° |
| C31 | C30 | C29 | H31 | 179.9° | 179.8° |
| C30 | C29 | C28 | H30 | 179.7° | 180.0° |
| C29 | C30 | C31 | H33 | 179.5° | 179.8° |
| H1 | C4 | C2 | H17 | 141.1° | 175.0° |
| H2 | C4 | C2 | H17 | 22.9° | 65.1° |
| H3 | C14 | C15 | H18 | 179.7° | 54.1° |
| H3 | C14 | C15 | H19 | 58.4° | 66.5° |
| H4 | C14 | C15 | H18 | 59.3° | 174.2° |
| H4 | C14 | C15 | H19 | 62.0° | 53.6° |
| H7 | C11 | C12 | H10 | 0.3° | 0.4° |
| H8 | C8 | C9 | H9 | 0.6° | 0.1° |
| H11 | C3 | H12 | H13 | 120.0° | 120.0° |
| H11 | C3 | C2 | H17 | 63.5° | 59.9° |
| H12 | C3 | C2 | H17 | 56.5° | 60.1° |
| H13 | C3 | C2 | H17 | 176.5° | 180.0° |
| H14 | C1 | H15 | H16 | 120.0° | 120.0° |
| H14 | C1 | C2 | H17 | 63.4° | 60.0° |
| H15 | C1 | C2 | H17 | 176.6° | 60.0° |
| H16 | C1 | C2 | H17 | 56.6° | 179.9° |
| H20 | C17 | C18 | H22 | 173.6° | 174.1° |
| H20 | C17 | C18 | H23 | 53.3° | 54.0° |
| H21 | C17 | C18 | H22 | 53.1° | 53.6° |
| H21 | C17 | C18 | H23 | 67.2° | 66.5° |
| H24 | C21 | H25 | H26 | 120.0° | 120.0° |
| H29 | C27 | C28 | H30 | 0.8° | 0.1° |
| H30 | C28 | C29 | H31 | 0.3° | 0.1° |
| H31 | C29 | C30 | H32 | 0.1° | 0.0° |
| H32 | C30 | C31 | H33 | 0.5° | 0.0° |
