2TW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C26 | doub | 1.21Å | 1.25Å | |
| C26 | O3 | sing | 1.34Å | 1.25Å | |
| C26 | C25 | sing | 1.51Å | 1.54Å | |
| CL2 | C13 | sing | 1.74Å | 1.73Å | |
| C25 | C23 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.54Å | |
| C9 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| O1 | C23 | sing | 1.43Å | 1.46Å | |
| O1 | C8 | sing | 1.43Å | 1.44Å | |
| C23 | C24 | sing | 1.50Å | 1.55Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C11 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | O2 | doub | 1.21Å | 1.23Å | |
| C24 | N1 | sing | 1.34Å | 1.42Å | |
| C7 | C5 | sing | 1.51Å | 1.54Å | |
| C7 | N1 | sing | 1.46Å | 1.49Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | CL1 | sing | 1.74Å | 1.72Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| N1 | C15 | sing | 1.47Å | 1.49Å | |
| C22 | C16 | sing | 1.53Å | 1.52Å | |
| C22 | C27 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C16 | C27 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C17 | sing | 1.53Å | 1.54Å | |
| O5 | S1 | doub | 1.42Å | 1.50Å | |
| C17 | S1 | sing | 1.81Å | 1.83Å | |
| S1 | O6 | doub | 1.42Å | 1.50Å | |
| S1 | C18 | sing | 1.81Å | 1.83Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | C21 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C23 | H6 | sing | 1.09Å | 1.10Å | |
| C25 | H7 | sing | 1.09Å | 1.10Å | |
| C25 | H8 | sing | 1.09Å | 1.10Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C7 | H27 | sing | 1.09Å | 1.10Å | |
| C4 | H28 | sing | 1.08Å | 1.08Å | |
| C3 | H29 | sing | 1.08Å | 1.08Å | |
| C1 | H30 | sing | 1.08Å | 1.08Å | |
| C6 | H31 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C26 | O3 | 125.2° | 120.0° |
| O4 | C26 | C25 | 117.7° | 120.0° |
| O3 | C26 | C25 | 117.1° | 120.0° |
| C26 | O3 | H9 | 109.5° | 117.0° |
| C26 | C25 | C23 | 111.4° | 109.5° |
| C26 | C25 | H7 | 109.0° | 109.5° |
| C26 | C25 | H8 | 109.0° | 109.5° |
| CL2 | C13 | C14 | 119.5° | 120.0° |
| CL2 | C13 | C12 | 119.9° | 120.0° |
| C25 | C23 | O1 | 110.1° | 109.4° |
| C25 | C23 | C24 | 113.3° | 109.4° |
| C25 | C23 | H6 | 106.9° | 109.4° |
| C23 | C25 | H7 | 109.0° | 109.4° |
| C23 | C25 | H8 | 109.0° | 109.5° |
| C14 | C13 | C12 | 120.6° | 119.9° |
| C13 | C14 | C9 | 119.9° | 120.0° |
| C13 | C14 | H1 | 120.1° | 119.9° |
| C13 | C12 | C11 | 119.8° | 120.0° |
| C13 | C12 | H2 | 120.0° | 120.0° |
| C14 | C9 | C8 | 120.0° | 120.0° |
| C14 | C9 | C10 | 119.6° | 120.0° |
| C9 | C14 | H1 | 120.1° | 120.0° |
| C12 | C11 | C10 | 119.7° | 119.9° |
| C11 | C12 | H2 | 120.1° | 119.9° |
| C12 | C11 | H3 | 120.2° | 120.0° |
| C8 | C9 | C10 | 120.4° | 120.0° |
| C9 | C8 | O1 | 110.1° | 109.6° |
| C9 | C8 | C7 | 110.2° | 109.6° |
| C9 | C8 | H5 | 108.8° | 109.6° |
| C9 | C10 | C11 | 120.5° | 120.1° |
| C9 | C10 | H4 | 119.7° | 119.9° |
| C23 | O1 | C8 | 113.3° | 113.0° |
| O1 | C23 | C24 | 111.5° | 109.9° |
| O1 | C23 | H6 | 107.9° | 109.4° |
| O1 | C8 | C7 | 108.9° | 108.7° |
| O1 | C8 | H5 | 110.2° | 109.7° |
| C23 | C24 | O2 | 118.4° | 118.8° |
| C23 | C24 | N1 | 121.1° | 122.3° |
| C24 | C23 | H6 | 106.9° | 109.4° |
| C8 | C7 | C5 | 109.5° | 109.4° |
| C8 | C7 | N1 | 112.1° | 109.9° |
| C7 | C8 | H5 | 108.7° | 109.6° |
| C8 | C7 | H27 | 107.2° | 109.4° |
| C10 | C11 | H3 | 120.2° | 120.0° |
| C11 | C10 | H4 | 119.8° | 120.0° |
| C1 | C6 | C5 | 119.5° | 120.0° |
| C6 | C1 | C2 | 119.4° | 120.0° |
| C6 | C1 | H30 | 120.3° | 120.1° |
| C1 | C6 | H31 | 120.2° | 120.0° |
| C6 | C5 | C7 | 120.6° | 120.0° |
| C6 | C5 | C4 | 120.8° | 120.1° |
| C5 | C6 | H31 | 120.3° | 120.0° |
| C1 | C2 | CL1 | 119.4° | 120.0° |
| C1 | C2 | C3 | 121.4° | 120.0° |
| C2 | C1 | H30 | 120.3° | 120.0° |
| O2 | C24 | N1 | 120.5° | 118.8° |
| C24 | N1 | C7 | 119.5° | 122.6° |
| C24 | N1 | C15 | 120.8° | 118.8° |
| C5 | C7 | N1 | 112.6° | 109.4° |
| C7 | C5 | C4 | 118.6° | 120.0° |
| C5 | C7 | H27 | 107.3° | 109.4° |
| C7 | N1 | C15 | 119.5° | 118.7° |
| N1 | C7 | H27 | 107.9° | 109.3° |
| C5 | C4 | C3 | 119.8° | 120.0° |
| C5 | C4 | H28 | 120.1° | 120.0° |
| CL1 | C2 | C3 | 119.2° | 120.0° |
| C2 | C3 | C4 | 119.1° | 120.0° |
| C2 | C3 | H29 | 120.5° | 120.1° |
| N1 | C15 | C16 | 111.9° | 109.5° |
| N1 | C15 | C17 | 111.5° | 109.5° |
| N1 | C15 | H10 | 107.8° | 109.5° |
| C16 | C22 | C27 | 59.9° | 60.0° |
| C22 | C16 | C15 | 115.5° | 117.5° |
| C22 | C16 | C27 | 60.0° | 60.0° |
| C22 | C16 | H11 | 118.1° | 117.5° |
| C16 | C22 | H12 | 120.0° | 117.6° |
| C16 | C22 | H13 | 120.0° | 117.5° |
| C22 | C27 | C16 | 60.1° | 60.0° |
| C27 | C22 | H12 | 120.0° | 117.6° |
| C27 | C22 | H13 | 120.1° | 117.5° |
| C22 | C27 | H14 | 120.0° | 117.5° |
| C22 | C27 | H15 | 120.0° | 117.4° |
| C15 | C16 | C27 | 114.4° | 117.5° |
| C16 | C15 | C17 | 111.0° | 109.5° |
| C16 | C15 | H10 | 107.2° | 109.5° |
| C15 | C16 | H11 | 117.9° | 115.5° |
| C27 | C16 | H11 | 118.1° | 117.5° |
| C16 | C27 | H14 | 120.0° | 117.5° |
| C16 | C27 | H15 | 120.0° | 117.5° |
| C3 | C4 | H28 | 120.1° | 120.0° |
| C4 | C3 | H29 | 120.4° | 120.0° |
| C15 | C17 | S1 | 112.8° | 109.4° |
| C17 | C15 | H10 | 107.2° | 109.5° |
| C15 | C17 | H16 | 108.6° | 109.4° |
| C15 | C17 | H17 | 108.6° | 109.4° |
| O5 | S1 | C17 | 108.1° | 108.6° |
| O5 | S1 | O6 | 111.1° | 119.2° |
| O5 | S1 | C18 | 108.3° | 108.6° |
| C17 | S1 | O6 | 110.3° | 108.6° |
| C17 | S1 | C18 | 111.5° | 101.9° |
| S1 | C17 | H16 | 108.7° | 109.5° |
| S1 | C17 | H17 | 108.7° | 109.5° |
| O6 | S1 | C18 | 107.5° | 108.5° |
| S1 | C18 | C20 | 109.4° | 109.4° |
| S1 | C18 | C21 | 108.7° | 109.5° |
| S1 | C18 | C19 | 108.5° | 109.5° |
| C20 | C18 | C21 | 110.8° | 109.4° |
| C20 | C18 | C19 | 110.7° | 109.5° |
| C18 | C20 | H18 | 109.5° | 109.5° |
| C18 | C20 | H19 | 109.4° | 109.4° |
| C18 | C20 | H20 | 109.5° | 109.5° |
| C21 | C18 | C19 | 108.7° | 109.5° |
| C18 | C21 | H21 | 109.5° | 109.5° |
| C18 | C21 | H22 | 109.5° | 109.5° |
| C18 | C21 | H23 | 109.5° | 109.5° |
| C18 | C19 | H24 | 109.5° | 109.5° |
| C18 | C19 | H25 | 109.5° | 109.5° |
| C18 | C19 | H26 | 109.4° | 109.4° |
| H7 | C25 | H8 | 109.5° | 109.5° |
| H12 | C22 | H13 | 109.4° | 115.5° |
| H14 | C27 | H15 | 109.5° | 115.6° |
| H16 | C17 | H17 | 109.4° | 109.5° |
| H18 | C20 | H19 | 109.5° | 109.5° |
| H18 | C20 | H20 | 109.5° | 109.4° |
| H19 | C20 | H20 | 109.5° | 109.5° |
| H21 | C21 | H22 | 109.5° | 109.4° |
| H21 | C21 | H23 | 109.4° | 109.5° |
| H22 | C21 | H23 | 109.5° | 109.5° |
| H24 | C19 | H25 | 109.4° | 109.5° |
| H24 | C19 | H26 | 109.5° | 109.5° |
| H25 | C19 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C26 | O3 | C25 | 179.7° | 179.9° |
| O4 | C26 | C25 | C23 | 121.3° | 0.0° |
| O4 | C26 | C25 | H7 | 1.0° | 120.0° |
| O4 | C26 | C25 | H8 | 118.4° | 120.0° |
| O4 | C26 | O3 | H9 | 0.0° | 0.0° |
| O3 | C26 | C25 | C23 | 58.5° | 180.0° |
| O3 | C26 | C25 | H7 | 178.7° | 60.1° |
| O3 | C26 | C25 | H8 | 61.9° | 60.0° |
| C26 | C25 | C23 | H7 | 120.3° | 120.0° |
| C26 | C25 | C23 | H8 | 120.3° | 120.0° |
| C26 | C25 | C23 | O1 | 66.7° | 65.0° |
| C26 | C25 | C23 | C24 | 167.7° | 174.6° |
| C26 | C25 | C23 | H6 | 50.2° | 54.8° |
| C26 | C25 | H7 | H8 | 119.1° | 120.1° |
| C25 | C26 | O3 | H9 | 179.7° | 180.0° |
| CL2 | C13 | C14 | C12 | 179.7° | 180.0° |
| CL2 | C13 | C14 | C9 | 179.9° | 180.0° |
| CL2 | C13 | C12 | C11 | 179.9° | 180.0° |
| CL2 | C13 | C14 | H1 | 0.1° | 0.3° |
| CL2 | C13 | C12 | H2 | 0.1° | 0.0° |
| C25 | C23 | O1 | C24 | 126.6° | 120.1° |
| C25 | C23 | O1 | H6 | 116.3° | 119.8° |
| C25 | C23 | O1 | C8 | 79.4° | 70.5° |
| C25 | C23 | C24 | H6 | 117.5° | 119.8° |
| C25 | C23 | C24 | O2 | 68.9° | 75.8° |
| C25 | C23 | C24 | N1 | 110.9° | 104.2° |
| C23 | C25 | H7 | H8 | 119.1° | 120.0° |
| C13 | C14 | C9 | H1 | 180.0° | 179.6° |
| C14 | C13 | C12 | C11 | 0.5° | 0.1° |
| C13 | C14 | C9 | C8 | 179.8° | 179.7° |
| C13 | C14 | C9 | C10 | 0.3° | 0.1° |
| C14 | C13 | C12 | H2 | 179.5° | 179.9° |
| C12 | C13 | C14 | C9 | 0.5° | 0.1° |
| C13 | C12 | C11 | H2 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.2° | 0.1° |
| C12 | C13 | C14 | H1 | 179.5° | 179.7° |
| C13 | C12 | C11 | H3 | 179.7° | 179.9° |
| C14 | C9 | C8 | C10 | 179.9° | 179.8° |
| C14 | C9 | C8 | O1 | 135.8° | 145.8° |
| C14 | C9 | C8 | C7 | 104.0° | 95.0° |
| C14 | C9 | C10 | C11 | 0.0° | 0.1° |
| C14 | C9 | C10 | H4 | 179.9° | 180.0° |
| C14 | C9 | C8 | H5 | 15.1° | 25.3° |
| C12 | C11 | C10 | C9 | 0.0° | 0.1° |
| C12 | C11 | C10 | H3 | 180.0° | 179.9° |
| C12 | C11 | C10 | H4 | 180.0° | 180.0° |
| C9 | C8 | O1 | C23 | 171.3° | 171.9° |
| C9 | C8 | O1 | C7 | 120.9° | 119.7° |
| C9 | C8 | O1 | H5 | 119.9° | 120.4° |
| C9 | C8 | C7 | H5 | 119.1° | 120.3° |
| C8 | C9 | C10 | C11 | 180.0° | 179.7° |
| C9 | C8 | C7 | C5 | 60.9° | 70.9° |
| C9 | C8 | C7 | N1 | 173.4° | 168.9° |
| C8 | C9 | C14 | H1 | 0.2° | 0.1° |
| C8 | C9 | C10 | H4 | 0.0° | 0.2° |
| C9 | C8 | C7 | H27 | 55.2° | 48.9° |
| C10 | C9 | C8 | O1 | 44.1° | 34.5° |
| C10 | C9 | C8 | C7 | 76.0° | 84.8° |
| C9 | C10 | C11 | H4 | 180.0° | 179.9° |
| C10 | C9 | C14 | H1 | 179.7° | 179.7° |
| C9 | C10 | C11 | H3 | 179.9° | 179.9° |
| C10 | C9 | C8 | H5 | 164.9° | 154.9° |
| O1 | C23 | C24 | H6 | 117.7° | 120.1° |
| C23 | O1 | C8 | C7 | 67.8° | 68.3° |
| O1 | C23 | C24 | O2 | 166.3° | 164.1° |
| O1 | C23 | C24 | N1 | 13.9° | 15.9° |
| C23 | O1 | C8 | H5 | 51.4° | 51.5° |
| O1 | C23 | C25 | H7 | 53.5° | 175.0° |
| O1 | C23 | C25 | H8 | 172.9° | 55.0° |
| C8 | O1 | C23 | C24 | 47.2° | 49.6° |
| O1 | C8 | C7 | H5 | 120.0° | 119.9° |
| O1 | C8 | C7 | C5 | 178.3° | 169.3° |
| O1 | C8 | C7 | N1 | 52.5° | 49.2° |
| C8 | O1 | C23 | H6 | 164.2° | 169.7° |
| O1 | C8 | C7 | H27 | 65.6° | 70.8° |
| C23 | C24 | O2 | N1 | 179.9° | 180.0° |
| C23 | C24 | N1 | C7 | 2.7° | 1.9° |
| C23 | C24 | N1 | C15 | 176.7° | 178.1° |
| C24 | C23 | C25 | H7 | 72.0° | 54.7° |
| C24 | C23 | C25 | H8 | 47.4° | 65.4° |
| C8 | C7 | C5 | C6 | 61.8° | 79.7° |
| C8 | C7 | N1 | C24 | 21.5° | 18.4° |
| C8 | C7 | C5 | N1 | 125.4° | 120.4° |
| C8 | C7 | C5 | H27 | 116.0° | 119.9° |
| C8 | C7 | N1 | H27 | 117.8° | 120.1° |
| C8 | C7 | C5 | C4 | 117.1° | 100.0° |
| C8 | C7 | N1 | C15 | 164.4° | 161.7° |
| C10 | C11 | C12 | H2 | 179.8° | 179.9° |
| C1 | C6 | C5 | H31 | 180.0° | 179.5° |
| C6 | C1 | C2 | H30 | 180.0° | 179.7° |
| C1 | C6 | C5 | C7 | 180.0° | 179.7° |
| C1 | C6 | C5 | C4 | 1.1° | 0.5° |
| C6 | C1 | C2 | CL1 | 180.0° | 179.7° |
| C6 | C1 | C2 | C3 | 0.6° | 0.3° |
| C5 | C6 | C1 | C2 | 1.1° | 0.5° |
| C6 | C5 | C7 | C4 | 178.9° | 179.8° |
| C6 | C5 | C7 | N1 | 63.6° | 40.7° |
| C6 | C5 | C4 | C3 | 0.6° | 0.2° |
| C6 | C5 | C7 | H27 | 177.8° | 160.4° |
| C6 | C5 | C4 | H28 | 179.4° | 179.8° |
| C5 | C6 | C1 | H30 | 178.9° | 179.8° |
| C1 | C2 | CL1 | C3 | 179.4° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C1 | C2 | C3 | H29 | 179.9° | 180.0° |
| C2 | C1 | C6 | H31 | 178.9° | 179.9° |
| O2 | C24 | N1 | C7 | 177.5° | 178.1° |
| O2 | C24 | N1 | C15 | 3.4° | 1.9° |
| O2 | C24 | C23 | H6 | 48.6° | 44.0° |
| C24 | N1 | C7 | C5 | 145.5° | 138.5° |
| C24 | N1 | C7 | C15 | 174.1° | 180.0° |
| C24 | N1 | C15 | C16 | 61.9° | 60.0° |
| C24 | N1 | C15 | C17 | 63.0° | 60.0° |
| N1 | C24 | C23 | H6 | 131.6° | 136.0° |
| C24 | N1 | C15 | H10 | 179.6° | 180.0° |
| C24 | N1 | C7 | H27 | 96.3° | 101.7° |
| C5 | C7 | N1 | H27 | 118.2° | 119.8° |
| C5 | C7 | N1 | C15 | 40.4° | 41.5° |
| C7 | C5 | C4 | C3 | 179.5° | 180.0° |
| C5 | C7 | C8 | H5 | 58.2° | 49.3° |
| C7 | C5 | C4 | H28 | 0.5° | 0.0° |
| C7 | C5 | C6 | H31 | 0.0° | 0.2° |
| N1 | C7 | C5 | C4 | 117.5° | 139.6° |
| C7 | N1 | C15 | C16 | 124.0° | 120.0° |
| C7 | N1 | C15 | C17 | 111.0° | 120.0° |
| N1 | C7 | C8 | H5 | 67.5° | 70.8° |
| C7 | N1 | C15 | H10 | 6.4° | 0.0° |
| C5 | C4 | C3 | C2 | 0.1° | 0.0° |
| C5 | C4 | C3 | H28 | 180.0° | 180.0° |
| C4 | C5 | C7 | H27 | 1.1° | 19.8° |
| C5 | C4 | C3 | H29 | 179.9° | 180.0° |
| C4 | C5 | C6 | H31 | 178.9° | 179.9° |
| CL1 | C2 | C3 | C4 | 179.5° | 180.0° |
| CL1 | C2 | C3 | H29 | 0.5° | 0.0° |
| CL1 | C2 | C1 | H30 | 0.0° | 0.0° |
| C2 | C3 | C4 | H29 | 180.0° | 180.0° |
| C2 | C3 | C4 | H28 | 179.9° | 180.0° |
| C3 | C2 | C1 | H30 | 179.4° | 180.0° |
| N1 | C15 | C16 | C22 | 102.4° | 111.4° |
| N1 | C15 | C16 | C17 | 125.2° | 120.0° |
| N1 | C15 | C16 | H10 | 118.0° | 120.0° |
| N1 | C15 | C16 | C27 | 169.4° | 180.0° |
| N1 | C15 | C17 | H10 | 117.7° | 120.0° |
| N1 | C15 | C17 | S1 | 50.6° | 65.0° |
| N1 | C15 | C16 | H11 | 45.0° | 34.3° |
| N1 | C15 | C17 | H16 | 171.1° | 175.0° |
| N1 | C15 | C17 | H17 | 69.9° | 54.9° |
| C15 | N1 | C7 | H27 | 77.8° | 78.3° |
| C16 | C22 | C27 | H12 | 109.5° | 107.5° |
| C16 | C22 | C27 | H13 | 109.4° | 107.5° |
| C22 | C16 | C15 | C27 | 66.9° | 68.7° |
| C22 | C16 | C15 | H11 | 147.4° | 145.7° |
| C22 | C16 | C27 | H11 | 107.9° | 107.5° |
| C22 | C16 | C15 | C17 | 132.3° | 128.7° |
| C22 | C16 | C15 | H10 | 15.5° | 8.6° |
| C16 | C22 | H12 | H13 | 144.7° | 145.7° |
| C16 | C22 | C27 | H14 | 109.5° | 107.5° |
| C16 | C22 | C27 | H15 | 109.5° | 107.5° |
| C27 | C22 | H12 | H13 | 144.8° | 145.7° |
| C22 | C27 | H14 | H15 | 144.7° | 145.6° |
| C15 | C16 | C27 | H11 | 145.5° | 145.0° |
| C16 | C15 | C17 | H10 | 116.8° | 120.0° |
| C16 | C15 | C17 | S1 | 176.1° | 175.0° |
| C15 | C16 | C22 | H12 | 4.8° | 0.0° |
| C15 | C16 | C22 | H13 | 145.9° | 145.0° |
| C15 | C16 | C27 | H14 | 3.0° | 145.0° |
| C15 | C16 | C27 | H15 | 144.0° | 0.0° |
| C16 | C15 | C17 | H16 | 63.4° | 55.0° |
| C16 | C15 | C17 | H17 | 55.5° | 65.0° |
| C27 | C16 | C15 | C17 | 65.4° | 60.0° |
| C27 | C16 | C15 | H10 | 51.4° | 60.0° |
| C16 | C27 | H14 | H15 | 144.7° | 145.7° |
| C15 | C17 | S1 | O5 | 78.0° | 65.5° |
| C15 | C17 | S1 | H16 | 120.5° | 119.9° |
| C15 | C17 | S1 | H17 | 120.5° | 120.0° |
| C15 | C17 | S1 | O6 | 43.7° | 65.5° |
| C15 | C17 | S1 | C18 | 163.1° | 180.0° |
| C17 | C15 | C16 | H11 | 80.2° | 85.7° |
| C15 | C17 | H16 | H17 | 118.5° | 120.0° |
| O5 | S1 | C17 | O6 | 121.7° | 131.0° |
| O5 | S1 | C17 | C18 | 118.9° | 114.5° |
| O5 | S1 | O6 | C18 | 118.4° | 124.9° |
| O5 | S1 | C18 | C20 | 65.4° | 54.5° |
| O5 | S1 | C18 | C21 | 55.7° | 65.4° |
| O5 | S1 | C18 | C19 | 173.7° | 174.5° |
| O5 | S1 | C17 | H16 | 161.5° | 174.5° |
| O5 | S1 | C17 | H17 | 42.5° | 54.4° |
| C17 | S1 | O6 | C18 | 121.8° | 110.0° |
| C17 | S1 | C18 | C20 | 53.4° | 60.0° |
| C17 | S1 | C18 | C21 | 174.4° | 180.0° |
| C17 | S1 | C18 | C19 | 67.5° | 60.0° |
| S1 | C17 | C15 | H10 | 67.1° | 55.0° |
| S1 | C17 | H16 | H17 | 118.5° | 120.1° |
| O6 | S1 | C18 | C20 | 174.4° | 174.5° |
| O6 | S1 | C18 | C21 | 64.5° | 65.5° |
| O6 | S1 | C18 | C19 | 53.5° | 54.5° |
| O6 | S1 | C17 | H16 | 76.8° | 54.4° |
| O6 | S1 | C17 | H17 | 164.2° | 174.5° |
| S1 | C18 | C20 | C21 | 119.8° | 119.9° |
| S1 | C18 | C20 | C19 | 119.5° | 120.0° |
| S1 | C18 | C21 | C19 | 117.9° | 120.0° |
| C18 | S1 | C17 | H16 | 42.6° | 60.0° |
| C18 | S1 | C17 | H17 | 76.4° | 60.1° |
| S1 | C18 | C20 | H18 | 180.0° | 60.0° |
| S1 | C18 | C20 | H19 | 60.0° | 180.0° |
| S1 | C18 | C20 | H20 | 60.0° | 60.0° |
| S1 | C18 | C21 | H21 | 180.0° | 60.1° |
| S1 | C18 | C21 | H22 | 60.0° | 180.0° |
| S1 | C18 | C21 | H23 | 60.0° | 60.0° |
| S1 | C18 | C19 | H24 | 180.0° | 60.0° |
| S1 | C18 | C19 | H25 | 60.0° | 180.0° |
| S1 | C18 | C19 | H26 | 60.0° | 60.0° |
| C20 | C18 | C21 | C19 | 121.8° | 120.0° |
| C18 | C20 | H18 | H19 | 120.0° | 120.0° |
| C18 | C20 | H18 | H20 | 120.0° | 120.0° |
| C18 | C20 | H19 | H20 | 120.0° | 120.0° |
| C20 | C18 | C21 | H21 | 59.8° | 180.0° |
| C20 | C18 | C21 | H22 | 60.2° | 60.1° |
| C20 | C18 | C21 | H23 | 179.7° | 60.0° |
| C20 | C18 | C19 | H24 | 59.9° | 60.0° |
| C20 | C18 | C19 | H25 | 179.9° | 60.0° |
| C20 | C18 | C19 | H26 | 60.1° | 180.0° |
| C21 | C18 | C20 | H18 | 60.2° | 60.0° |
| C21 | C18 | C20 | H19 | 179.8° | 60.0° |
| C21 | C18 | C20 | H20 | 59.8° | 180.0° |
| C18 | C21 | H21 | H22 | 120.0° | 119.9° |
| C18 | C21 | H21 | H23 | 120.0° | 120.1° |
| C18 | C21 | H22 | H23 | 120.0° | 120.1° |
| C21 | C18 | C19 | H24 | 61.9° | 180.0° |
| C21 | C18 | C19 | H25 | 58.0° | 60.0° |
| C21 | C18 | C19 | H26 | 178.0° | 60.0° |
| C19 | C18 | C20 | H18 | 60.5° | 180.0° |
| C19 | C18 | C20 | H19 | 59.5° | 60.0° |
| C19 | C18 | C20 | H20 | 179.5° | 60.0° |
| C19 | C18 | C21 | H21 | 62.1° | 60.0° |
| C19 | C18 | C21 | H22 | 177.9° | 60.0° |
| C19 | C18 | C21 | H23 | 57.9° | 180.0° |
| C18 | C19 | H24 | H25 | 120.0° | 120.0° |
| C18 | C19 | H24 | H26 | 120.0° | 120.0° |
| C18 | C19 | H25 | H26 | 120.0° | 120.0° |
| H2 | C12 | C11 | H3 | 0.3° | 0.1° |
| H3 | C11 | C10 | H4 | 0.1° | 0.1° |
| H5 | C8 | C7 | H27 | 174.3° | 169.2° |
| H6 | C23 | C25 | H7 | 170.5° | 65.2° |
| H6 | C23 | C25 | H8 | 70.1° | 174.8° |
| H10 | C15 | C16 | H11 | 163.0° | 154.3° |
| H10 | C15 | C17 | H16 | 53.4° | 65.0° |
| H10 | C15 | C17 | H17 | 172.4° | 175.0° |
| H11 | C16 | C22 | H12 | 142.5° | 145.0° |
| H11 | C16 | C22 | H13 | 1.5° | 0.1° |
| H11 | C16 | C27 | H14 | 142.5° | 0.0° |
| H11 | C16 | C27 | H15 | 1.5° | 145.0° |
| H12 | C22 | C27 | H14 | 0.0° | 145.0° |
| H12 | C22 | C27 | H15 | 141.0° | 0.0° |
| H13 | C22 | C27 | H14 | 141.1° | 0.0° |
| H13 | C22 | C27 | H15 | 0.1° | 145.0° |
| H18 | C20 | H19 | H20 | 120.0° | 120.0° |
| H21 | C21 | H22 | H23 | 119.9° | 120.0° |
| H24 | C19 | H25 | H26 | 120.0° | 120.0° |
| H28 | C4 | C3 | H29 | 0.1° | 0.0° |
| H30 | C1 | C6 | H31 | 1.1° | 0.2° |
