35S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| C31 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.42Å | Aromatic |
| C29 | C3 | sing | 1.51Å | 1.52Å | |
| C29 | N1 | doub | 1.32Å | 1.36Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.48Å | |
| C3 | C1 | sing | 1.53Å | 1.49Å | |
| C2 | C1 | sing | 1.53Å | 1.49Å | |
| C5 | N1 | sing | 1.32Å | 1.36Å | Aromatic |
| C5 | C8 | sing | 1.51Å | 1.54Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C8 | N2 | sing | 1.47Å | 1.47Å | |
| C10 | C23 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | doub | 1.38Å | 1.41Å | Aromatic |
| C27 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| N2 | C7 | sing | 1.46Å | 1.50Å | |
| N2 | C11 | sing | 1.33Å | 1.37Å | |
| O1 | C11 | doub | 1.21Å | 1.22Å | |
| CL1 | C9 | sing | 1.74Å | 1.69Å | |
| C9 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| C6 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C16 | sing | 1.53Å | 1.56Å | |
| C11 | C12 | sing | 1.50Å | 1.53Å | |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.42Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C12 | sing | 1.53Å | 1.55Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C12 | C15 | sing | 1.53Å | 1.51Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C17 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | CL2 | sing | 1.74Å | 1.71Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | O3 | doub | 1.21Å | 1.36Å | |
| C14 | O2 | sing | 1.34Å | 1.21Å | |
| C24 | H1 | sing | 1.08Å | 1.08Å | |
| C25 | H2 | sing | 1.08Å | 1.08Å | |
| C27 | H3 | sing | 1.08Å | 1.08Å | |
| C28 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| O2 | H9 | sing | 0.97Å | 0.95Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H16 | sing | 1.08Å | 1.08Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.08Å | 1.08Å | |
| C31 | H26 | sing | 1.08Å | 1.08Å | |
| C4 | H27 | sing | 1.08Å | 1.08Å | |
| C1 | H28 | sing | 1.09Å | 1.10Å | |
| C1 | H29 | sing | 1.09Å | 1.10Å | |
| C2 | H30 | sing | 1.09Å | 1.10Å | |
| C2 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C31 | C4 | 120.8° | 118.4° |
| C31 | C30 | C29 | 118.9° | 119.2° |
| C31 | C30 | H25 | 120.6° | 120.5° |
| C30 | C31 | H26 | 119.6° | 120.8° |
| C31 | C4 | C5 | 117.7° | 119.2° |
| C4 | C31 | H26 | 119.6° | 120.8° |
| C31 | C4 | H27 | 121.2° | 120.4° |
| C30 | C29 | C3 | 118.2° | 119.6° |
| C30 | C29 | N1 | 120.2° | 120.8° |
| C29 | C30 | H25 | 120.6° | 120.4° |
| C4 | C5 | N1 | 120.6° | 120.8° |
| C4 | C5 | C8 | 124.3° | 119.7° |
| C5 | C4 | H27 | 121.1° | 120.4° |
| C3 | C29 | N1 | 121.6° | 119.6° |
| C29 | C3 | C2 | 117.1° | 117.5° |
| C29 | C3 | C1 | 116.7° | 117.5° |
| C29 | C3 | H32 | 116.7° | 115.6° |
| C29 | N1 | C5 | 121.9° | 121.7° |
| C2 | C3 | C1 | 60.1° | 59.9° |
| C3 | C2 | C1 | 60.1° | 60.0° |
| C3 | C2 | H30 | 120.0° | 117.5° |
| C3 | C2 | H31 | 120.0° | 117.5° |
| C2 | C3 | H32 | 117.3° | 117.5° |
| C3 | C1 | C2 | 59.8° | 60.1° |
| C3 | C1 | H28 | 120.1° | 117.5° |
| C3 | C1 | H29 | 120.0° | 117.5° |
| C1 | C3 | H32 | 117.1° | 117.5° |
| C2 | C1 | H28 | 120.0° | 117.5° |
| C2 | C1 | H29 | 120.0° | 117.5° |
| C1 | C2 | H30 | 120.0° | 117.5° |
| C1 | C2 | H31 | 120.0° | 117.5° |
| N1 | C5 | C8 | 115.1° | 119.6° |
| C5 | C8 | C10 | 112.8° | 109.5° |
| C5 | C8 | N2 | 109.4° | 109.4° |
| C5 | C8 | H6 | 105.5° | 109.5° |
| C10 | C8 | N2 | 116.5° | 109.4° |
| C8 | C10 | C23 | 112.8° | 109.5° |
| C10 | C8 | H6 | 105.6° | 109.5° |
| C8 | C10 | H17 | 108.6° | 109.5° |
| C8 | C10 | H18 | 108.6° | 109.4° |
| C8 | N2 | C7 | 119.0° | 117.9° |
| C8 | N2 | C11 | 118.2° | 118.0° |
| N2 | C8 | H6 | 106.2° | 109.5° |
| C23 | C10 | H17 | 108.6° | 109.5° |
| C23 | C10 | H18 | 108.6° | 109.5° |
| C10 | C23 | H19 | 109.5° | 109.4° |
| C10 | C23 | H20 | 109.4° | 109.5° |
| C10 | C23 | H21 | 109.5° | 109.5° |
| C28 | C27 | C9 | 117.6° | 119.9° |
| C27 | C28 | C6 | 120.1° | 120.0° |
| C28 | C27 | H3 | 121.2° | 120.0° |
| C27 | C28 | H4 | 120.0° | 119.9° |
| C27 | C9 | CL1 | 117.6° | 120.0° |
| C27 | C9 | C24 | 123.5° | 120.0° |
| C9 | C27 | H3 | 121.2° | 120.1° |
| C28 | C6 | C7 | 120.1° | 120.0° |
| C28 | C6 | C25 | 120.4° | 120.1° |
| C6 | C28 | H4 | 119.9° | 120.0° |
| C7 | N2 | C11 | 122.7° | 124.1° |
| N2 | C7 | C6 | 117.6° | 109.3° |
| N2 | C7 | C16 | 115.4° | 110.5° |
| N2 | C7 | H5 | 102.7° | 109.1° |
| N2 | C11 | O1 | 121.1° | 118.2° |
| N2 | C11 | C12 | 121.2° | 123.5° |
| O1 | C11 | C12 | 117.6° | 118.3° |
| CL1 | C9 | C24 | 118.8° | 120.0° |
| C9 | C24 | C25 | 118.1° | 120.0° |
| C9 | C24 | H1 | 121.0° | 120.0° |
| C7 | C6 | C25 | 119.5° | 120.0° |
| C6 | C7 | C16 | 113.1° | 109.3° |
| C6 | C7 | H5 | 102.8° | 109.3° |
| C6 | C25 | C24 | 120.3° | 120.0° |
| C6 | C25 | H2 | 119.9° | 120.0° |
| C7 | C16 | C17 | 113.8° | 109.6° |
| C7 | C16 | C15 | 114.2° | 108.6° |
| C16 | C7 | H5 | 102.3° | 109.3° |
| C7 | C16 | H12 | 104.9° | 109.6° |
| C11 | C12 | C26 | 107.1° | 109.4° |
| C11 | C12 | C15 | 113.1° | 109.9° |
| C11 | C12 | C13 | 109.9° | 109.4° |
| C25 | C24 | H1 | 121.0° | 120.0° |
| C24 | C25 | H2 | 119.8° | 120.0° |
| C19 | C18 | C17 | 121.3° | 120.0° |
| C18 | C19 | C20 | 120.3° | 120.0° |
| C19 | C18 | H13 | 119.3° | 120.0° |
| C18 | C19 | H14 | 119.9° | 120.0° |
| C18 | C17 | C16 | 121.2° | 120.0° |
| C18 | C17 | C22 | 118.1° | 120.0° |
| C17 | C18 | H13 | 119.3° | 120.0° |
| C19 | C20 | C21 | 118.2° | 120.0° |
| C20 | C19 | H14 | 119.9° | 120.0° |
| C19 | C20 | H15 | 120.9° | 120.0° |
| C26 | C12 | C15 | 103.4° | 109.4° |
| C26 | C12 | C13 | 113.9° | 109.3° |
| C12 | C26 | H22 | 109.5° | 109.5° |
| C12 | C26 | H23 | 109.5° | 109.5° |
| C12 | C26 | H24 | 109.5° | 109.5° |
| C17 | C16 | C15 | 112.3° | 109.6° |
| C16 | C17 | C22 | 120.6° | 120.0° |
| C17 | C16 | H12 | 105.3° | 109.7° |
| C16 | C15 | C12 | 113.3° | 108.4° |
| C16 | C15 | H10 | 108.5° | 109.7° |
| C16 | C15 | H11 | 108.5° | 109.7° |
| C15 | C16 | H12 | 105.3° | 109.7° |
| C15 | C12 | C13 | 109.4° | 109.4° |
| C12 | C15 | H10 | 108.5° | 109.7° |
| C12 | C15 | H11 | 108.5° | 109.7° |
| C12 | C13 | C14 | 111.9° | 109.4° |
| C12 | C13 | H7 | 108.9° | 109.5° |
| C12 | C13 | H8 | 108.9° | 109.5° |
| C17 | C22 | C21 | 119.7° | 119.9° |
| C17 | C22 | H16 | 120.1° | 120.0° |
| C20 | C21 | C22 | 122.3° | 120.0° |
| C20 | C21 | CL2 | 119.9° | 120.0° |
| C21 | C20 | H15 | 120.9° | 120.0° |
| C22 | C21 | CL2 | 117.8° | 120.0° |
| C21 | C22 | H16 | 120.2° | 120.0° |
| C13 | C14 | O3 | 105.4° | 120.0° |
| C13 | C14 | O2 | 129.0° | 120.0° |
| C14 | C13 | H7 | 108.9° | 109.4° |
| C14 | C13 | H8 | 108.9° | 109.5° |
| O3 | C14 | O2 | 125.6° | 120.0° |
| C14 | O2 | H9 | 109.5° | 117.0° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.5° | 109.7° |
| H17 | C10 | H18 | 109.5° | 109.4° |
| H19 | C23 | H20 | 109.5° | 109.4° |
| H19 | C23 | H21 | 109.5° | 109.5° |
| H20 | C23 | H21 | 109.5° | 109.5° |
| H22 | C26 | H23 | 109.4° | 109.5° |
| H22 | C26 | H24 | 109.5° | 109.5° |
| H23 | C26 | H24 | 109.4° | 109.5° |
| H28 | C1 | H29 | 109.4° | 115.5° |
| H30 | C2 | H31 | 109.4° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C31 | C4 | H26 | 180.0° | 180.0° |
| C31 | C30 | C29 | H25 | 180.0° | 180.0° |
| C30 | C31 | C4 | C5 | 0.1° | 0.0° |
| C31 | C30 | C29 | C3 | 179.3° | 180.0° |
| C31 | C30 | C29 | N1 | 0.2° | 0.3° |
| C30 | C31 | C4 | H27 | 179.9° | 180.0° |
| C4 | C31 | C30 | C29 | 0.1° | 0.0° |
| C31 | C4 | C5 | H27 | 180.0° | 180.0° |
| C31 | C4 | C5 | N1 | 0.1° | 0.3° |
| C31 | C4 | C5 | C8 | 179.0° | 180.0° |
| C4 | C31 | C30 | H25 | 179.9° | 180.0° |
| C30 | C29 | C3 | N1 | 179.5° | 179.7° |
| C30 | C29 | C3 | C2 | 137.4° | 35.2° |
| C30 | C29 | C3 | C1 | 154.3° | 33.3° |
| C30 | C29 | N1 | C5 | 0.1° | 0.6° |
| C29 | C30 | C31 | H26 | 179.9° | 180.0° |
| C30 | C29 | C3 | H32 | 8.9° | 179.0° |
| C4 | C5 | N1 | C29 | 0.1° | 0.6° |
| C4 | C5 | N1 | C8 | 179.2° | 179.7° |
| C4 | C5 | C8 | C10 | 13.6° | 120.5° |
| C4 | C5 | C8 | N2 | 145.0° | 0.5° |
| C4 | C5 | C8 | H6 | 101.1° | 119.5° |
| C5 | C4 | C31 | H26 | 179.9° | 180.0° |
| C29 | C3 | C2 | C1 | 106.7° | 107.5° |
| C29 | C3 | C2 | H32 | 146.1° | 145.1° |
| C29 | C3 | C1 | H32 | 145.2° | 145.0° |
| C3 | C29 | N1 | C5 | 179.4° | 179.7° |
| C3 | C29 | C30 | H25 | 0.6° | 0.0° |
| C29 | C3 | C1 | H28 | 143.2° | 0.1° |
| C29 | C3 | C1 | H29 | 2.0° | 145.0° |
| C29 | C3 | C2 | H30 | 2.8° | 145.0° |
| C29 | C3 | C2 | H31 | 143.8° | 0.1° |
| N1 | C29 | C3 | C2 | 43.1° | 145.1° |
| N1 | C29 | C3 | C1 | 25.2° | 146.4° |
| C29 | N1 | C5 | C8 | 179.1° | 179.7° |
| N1 | C29 | C30 | H25 | 179.9° | 179.7° |
| N1 | C29 | C3 | H32 | 170.6° | 0.7° |
| C2 | C3 | C1 | H32 | 107.4° | 107.5° |
| C3 | C2 | C1 | H30 | 109.5° | 107.4° |
| C3 | C2 | C1 | H31 | 109.5° | 107.5° |
| C2 | C3 | C1 | H28 | 109.4° | 107.5° |
| C2 | C3 | C1 | H29 | 109.4° | 107.5° |
| C3 | C2 | H30 | H31 | 144.7° | 145.6° |
| C3 | C1 | H28 | H29 | 144.9° | 145.6° |
| C2 | C1 | H28 | H29 | 144.8° | 145.7° |
| C1 | C2 | H30 | H31 | 144.6° | 145.8° |
| N1 | C5 | C8 | C10 | 167.2° | 59.3° |
| N1 | C5 | C8 | N2 | 35.8° | 179.2° |
| N1 | C5 | C8 | H6 | 78.0° | 60.8° |
| N1 | C5 | C4 | H27 | 179.9° | 179.7° |
| C5 | C8 | C10 | N2 | 127.8° | 119.9° |
| C5 | C8 | C10 | H6 | 114.7° | 120.1° |
| C5 | C8 | N2 | H6 | 113.4° | 120.0° |
| C5 | C8 | C10 | C23 | 162.6° | 158.9° |
| C5 | C8 | N2 | C7 | 94.5° | 95.7° |
| C5 | C8 | N2 | C11 | 82.5° | 84.4° |
| C5 | C8 | C10 | H17 | 76.9° | 38.9° |
| C5 | C8 | C10 | H18 | 42.1° | 81.0° |
| C8 | C5 | C4 | H27 | 1.0° | 0.0° |
| C10 | C8 | N2 | H6 | 117.2° | 120.0° |
| C8 | C10 | C23 | H17 | 120.5° | 120.0° |
| C8 | C10 | C23 | H18 | 120.5° | 120.0° |
| C10 | C8 | N2 | C7 | 136.1° | 144.3° |
| C10 | C8 | N2 | C11 | 46.9° | 35.6° |
| C8 | C10 | H17 | H18 | 118.5° | 119.9° |
| C8 | C10 | C23 | H19 | 180.0° | 157.6° |
| C8 | C10 | C23 | H20 | 60.0° | 37.7° |
| C8 | C10 | C23 | H21 | 60.0° | 82.4° |
| N2 | C8 | C10 | C23 | 69.7° | 39.0° |
| C8 | N2 | C7 | C11 | 176.8° | 179.9° |
| C8 | N2 | C11 | O1 | 6.1° | 2.3° |
| C8 | N2 | C7 | C6 | 36.8° | 40.6° |
| C8 | N2 | C7 | C16 | 174.4° | 160.9° |
| C8 | N2 | C11 | C12 | 175.2° | 177.7° |
| C8 | N2 | C7 | H5 | 75.2° | 79.0° |
| N2 | C8 | C10 | H17 | 50.8° | 81.0° |
| N2 | C8 | C10 | H18 | 169.8° | 159.1° |
| C23 | C10 | C8 | H6 | 47.9° | 81.0° |
| C23 | C10 | H17 | H18 | 118.5° | 120.0° |
| C10 | C23 | H19 | H20 | 120.0° | 119.9° |
| C10 | C23 | H19 | H21 | 120.0° | 120.0° |
| C10 | C23 | H20 | H21 | 120.0° | 120.1° |
| C28 | C27 | C9 | H3 | 180.0° | 179.9° |
| C27 | C28 | C6 | H4 | 180.0° | 180.0° |
| C28 | C27 | C9 | CL1 | 179.1° | 180.0° |
| C28 | C27 | C9 | C24 | 0.2° | 0.3° |
| C27 | C28 | C6 | C7 | 178.1° | 180.0° |
| C27 | C28 | C6 | C25 | 0.3° | 0.3° |
| C9 | C27 | C28 | C6 | 0.1° | 0.0° |
| C27 | C9 | CL1 | C24 | 179.3° | 179.7° |
| C27 | C9 | C24 | C25 | 0.3° | 0.3° |
| C27 | C9 | C24 | H1 | 179.7° | 179.7° |
| C9 | C27 | C28 | H4 | 179.9° | 180.0° |
| C28 | C6 | C7 | N2 | 110.7° | 120.4° |
| C28 | C6 | C7 | C25 | 178.4° | 179.7° |
| C28 | C6 | C7 | C16 | 110.7° | 118.6° |
| C28 | C6 | C25 | C24 | 0.2° | 0.3° |
| C28 | C6 | C25 | H2 | 179.8° | 179.8° |
| C6 | C28 | C27 | H3 | 179.9° | 179.9° |
| C28 | C6 | C7 | H5 | 1.2° | 1.0° |
| C7 | N2 | C11 | O1 | 170.8° | 177.8° |
| N2 | C7 | C6 | C16 | 138.6° | 121.0° |
| N2 | C7 | C6 | H5 | 111.9° | 119.4° |
| N2 | C7 | C6 | C25 | 70.9° | 59.9° |
| N2 | C7 | C16 | H5 | 110.7° | 120.1° |
| C7 | N2 | C11 | C12 | 8.0° | 2.2° |
| N2 | C7 | C16 | C17 | 159.9° | 170.5° |
| N2 | C7 | C16 | C15 | 29.3° | 50.7° |
| C7 | N2 | C8 | H6 | 18.9° | 24.3° |
| N2 | C7 | C16 | H12 | 85.5° | 69.1° |
| N2 | C11 | O1 | C12 | 178.8° | 180.0° |
| C11 | N2 | C7 | C6 | 146.4° | 139.3° |
| C11 | N2 | C7 | C16 | 8.7° | 19.0° |
| N2 | C11 | C12 | C26 | 140.6° | 137.7° |
| N2 | C11 | C12 | C15 | 27.4° | 17.6° |
| N2 | C11 | C12 | C13 | 95.2° | 102.6° |
| C11 | N2 | C7 | H5 | 101.7° | 101.2° |
| C11 | N2 | C8 | H6 | 164.1° | 155.6° |
| O1 | C11 | C12 | C26 | 38.2° | 42.3° |
| O1 | C11 | C12 | C15 | 151.5° | 162.4° |
| O1 | C11 | C12 | C13 | 86.0° | 77.5° |
| CL1 | C9 | C24 | C25 | 179.0° | 180.0° |
| CL1 | C9 | C24 | H1 | 1.0° | 0.0° |
| CL1 | C9 | C27 | H3 | 1.0° | 0.1° |
| C9 | C24 | C25 | C6 | 0.1° | 0.0° |
| C9 | C24 | C25 | H1 | 180.0° | 180.0° |
| C9 | C24 | C25 | H2 | 180.0° | 179.9° |
| C24 | C9 | C27 | H3 | 179.8° | 179.8° |
| C6 | C7 | C16 | H5 | 109.8° | 119.6° |
| C7 | C6 | C25 | C24 | 178.2° | 180.0° |
| C6 | C7 | C16 | C17 | 60.5° | 69.2° |
| C6 | C7 | C16 | C15 | 168.8° | 171.1° |
| C7 | C6 | C25 | H2 | 1.8° | 0.1° |
| C7 | C6 | C28 | H4 | 1.9° | 0.0° |
| C6 | C7 | C16 | H12 | 54.0° | 51.2° |
| C25 | C6 | C7 | C16 | 67.7° | 61.1° |
| C6 | C25 | C24 | H2 | 180.0° | 179.9° |
| C6 | C25 | C24 | H1 | 180.0° | 180.0° |
| C25 | C6 | C28 | H4 | 179.7° | 179.7° |
| C25 | C6 | C7 | H5 | 177.2° | 179.3° |
| C7 | C16 | C17 | C18 | 82.6° | 60.3° |
| C7 | C16 | C17 | C15 | 131.6° | 119.1° |
| C7 | C16 | C17 | H12 | 114.3° | 120.4° |
| C7 | C16 | C15 | H12 | 114.5° | 119.8° |
| C7 | C16 | C15 | C12 | 49.4° | 67.5° |
| C7 | C16 | C17 | C22 | 95.1° | 120.1° |
| C7 | C16 | C15 | H10 | 170.0° | 52.2° |
| C7 | C16 | C15 | H11 | 71.1° | 172.7° |
| C11 | C12 | C26 | C15 | 119.6° | 120.4° |
| C11 | C12 | C26 | C13 | 121.7° | 119.8° |
| C11 | C12 | C15 | C16 | 47.6° | 48.9° |
| C11 | C12 | C15 | C13 | 122.8° | 120.2° |
| C11 | C12 | C13 | C14 | 169.1° | 60.0° |
| C11 | C12 | C13 | H7 | 48.7° | 59.9° |
| C11 | C12 | C13 | H8 | 70.6° | 180.0° |
| C11 | C12 | C15 | H10 | 168.2° | 70.8° |
| C11 | C12 | C15 | H11 | 72.9° | 168.7° |
| C11 | C12 | C26 | H22 | 180.0° | 60.0° |
| C11 | C12 | C26 | H23 | 60.0° | 180.0° |
| C11 | C12 | C26 | H24 | 60.0° | 60.0° |
| C19 | C18 | C17 | H13 | 180.0° | 180.0° |
| C18 | C19 | C20 | H14 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 177.5° | 180.0° |
| C19 | C18 | C17 | C22 | 0.4° | 0.3° |
| C18 | C19 | C20 | C21 | 0.1° | 0.0° |
| C18 | C19 | C20 | H15 | 179.9° | 180.0° |
| C17 | C18 | C19 | C20 | 0.1° | NaN° |
| C18 | C17 | C16 | C22 | 177.8° | 179.7° |
| C18 | C17 | C16 | C15 | 49.0° | 58.9° |
| C18 | C17 | C22 | C21 | 0.5° | 0.6° |
| C18 | C17 | C16 | H12 | 163.1° | 179.4° |
| C17 | C18 | C19 | H14 | 179.9° | 180.0° |
| C18 | C17 | C22 | H16 | 179.5° | 179.8° |
| C19 | C20 | C21 | H15 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.1° | 0.3° |
| C19 | C20 | C21 | CL2 | 179.5° | 180.0° |
| C20 | C19 | C18 | H13 | 179.9° | 180.0° |
| C26 | C12 | C15 | C16 | 163.1° | 169.0° |
| C26 | C12 | C15 | C13 | 121.7° | 119.7° |
| C26 | C12 | C13 | C14 | 48.9° | 59.8° |
| C26 | C12 | C13 | H7 | 71.4° | 179.7° |
| C26 | C12 | C13 | H8 | 169.3° | 60.2° |
| C26 | C12 | C15 | H10 | 76.4° | 49.3° |
| C26 | C12 | C15 | H11 | 42.5° | 71.2° |
| C12 | C26 | H22 | H23 | 120.0° | 120.0° |
| C12 | C26 | H22 | H24 | 120.0° | 120.0° |
| C12 | C26 | H23 | H24 | 120.0° | 120.0° |
| C17 | C16 | C15 | H12 | 114.1° | 120.5° |
| C17 | C16 | C15 | C12 | 179.2° | 172.7° |
| C16 | C17 | C22 | C21 | 177.3° | 179.7° |
| C17 | C16 | C7 | H5 | 49.3° | 50.4° |
| C17 | C16 | C15 | H10 | 58.6° | 67.6° |
| C17 | C16 | C15 | H11 | 60.3° | 53.0° |
| C16 | C17 | C18 | H13 | 2.5° | 0.1° |
| C16 | C17 | C22 | H16 | 2.6° | 0.1° |
| C16 | C15 | C12 | H10 | 120.6° | 119.7° |
| C16 | C15 | C12 | H11 | 120.6° | 119.8° |
| C16 | C15 | C12 | C13 | 75.2° | 71.2° |
| C15 | C16 | C17 | C22 | 133.2° | 120.8° |
| C15 | C16 | C7 | H5 | 81.4° | 69.3° |
| C16 | C15 | H10 | H11 | 118.3° | 120.6° |
| C15 | C12 | C13 | C14 | 66.2° | 179.6° |
| C15 | C12 | C13 | H7 | 173.4° | 60.5° |
| C15 | C12 | C13 | H8 | 54.1° | 59.6° |
| C12 | C15 | H10 | H11 | 118.3° | 120.5° |
| C12 | C15 | C16 | H12 | 65.1° | 52.3° |
| C15 | C12 | C26 | H22 | 60.4° | 179.6° |
| C15 | C12 | C26 | H23 | 59.6° | 59.6° |
| C15 | C12 | C26 | H24 | 179.6° | 60.4° |
| C12 | C13 | C14 | H7 | 120.4° | 120.0° |
| C12 | C13 | C14 | H8 | 120.4° | 120.0° |
| C12 | C13 | C14 | O3 | 100.7° | 0.0° |
| C12 | C13 | C14 | O2 | 79.3° | 180.0° |
| C12 | C13 | H7 | H8 | 118.9° | 120.1° |
| C13 | C12 | C15 | H10 | 45.3° | 169.1° |
| C13 | C12 | C15 | H11 | 164.2° | 48.5° |
| C13 | C12 | C26 | H22 | 58.3° | 59.8° |
| C13 | C12 | C26 | H23 | 178.3° | 60.2° |
| C13 | C12 | C26 | H24 | 61.7° | 179.8° |
| C17 | C22 | C21 | C20 | 0.4° | 0.6° |
| C17 | C22 | C21 | H16 | 180.0° | 179.7° |
| C17 | C22 | C21 | CL2 | 179.2° | 179.7° |
| C22 | C17 | C16 | H12 | 19.1° | 0.3° |
| C22 | C17 | C18 | H13 | 179.6° | 179.7° |
| C20 | C21 | C22 | CL2 | 179.5° | 179.7° |
| C21 | C20 | C19 | H14 | 179.9° | 180.0° |
| C20 | C21 | C22 | H16 | 179.7° | 179.8° |
| C22 | C21 | C20 | H15 | 179.9° | 179.8° |
| CL2 | C21 | C20 | H15 | 0.6° | 0.1° |
| CL2 | C21 | C22 | H16 | 0.8° | 0.0° |
| C13 | C14 | O3 | O2 | 180.0° | 180.0° |
| C14 | C13 | H7 | H8 | 118.9° | 120.0° |
| C13 | C14 | O2 | H9 | 180.0° | 180.0° |
| O3 | C14 | C13 | H7 | 19.7° | 120.0° |
| O3 | C14 | C13 | H8 | 138.9° | 120.0° |
| O3 | C14 | O2 | H9 | 0.0° | 0.0° |
| O2 | C14 | C13 | H7 | 160.4° | 60.0° |
| O2 | C14 | C13 | H8 | 41.1° | 60.0° |
| H1 | C24 | C25 | H2 | 0.0° | 0.1° |
| H3 | C27 | C28 | H4 | 0.1° | 0.1° |
| H5 | C7 | C16 | H12 | 163.8° | 170.8° |
| H6 | C8 | C10 | H17 | 168.4° | 159.0° |
| H6 | C8 | C10 | H18 | 72.6° | 39.1° |
| H10 | C15 | C16 | H12 | 55.5° | 172.0° |
| H11 | C15 | C16 | H12 | 174.4° | 67.5° |
| H13 | C18 | C19 | H14 | 0.1° | 0.0° |
| H14 | C19 | C20 | H15 | 0.1° | 0.1° |
| H17 | C10 | C23 | H19 | 59.5° | 82.4° |
| H17 | C10 | C23 | H20 | 179.5° | 157.7° |
| H17 | C10 | C23 | H21 | 60.5° | 37.6° |
| H18 | C10 | C23 | H19 | 59.5° | 37.6° |
| H18 | C10 | C23 | H20 | 60.5° | 82.3° |
| H18 | C10 | C23 | H21 | 179.5° | 157.6° |
| H19 | C23 | H20 | H21 | 120.0° | 120.0° |
| H22 | C26 | H23 | H24 | 120.0° | 120.0° |
| H25 | C30 | C31 | H26 | 0.1° | 0.0° |
| H26 | C31 | C4 | H27 | 0.1° | 0.0° |
| H28 | C1 | C2 | H30 | 141.1° | 145.1° |
| H28 | C1 | C2 | H31 | 0.1° | 0.0° |
| H28 | C1 | C3 | H32 | 2.0° | 145.0° |
| H29 | C1 | C2 | H30 | 0.1° | 0.1° |
| H29 | C1 | C2 | H31 | 141.0° | 145.0° |
| H29 | C1 | C3 | H32 | 143.2° | 0.1° |
| H30 | C2 | C3 | H32 | 143.3° | 0.1° |
| H31 | C2 | C3 | H32 | 2.3° | 145.0° |
