G43
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C21 | sing | 1.36Å | 1.37Å | |
| C21 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.41Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C17 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| O6 | C7 | sing | 1.43Å | 1.38Å | |
| C19 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | C7 | sing | 1.53Å | 1.58Å | |
| C15 | N2 | sing | 1.46Å | 1.51Å | |
| C16 | C17 | sing | 1.53Å | 1.57Å | |
| C16 | N2 | sing | 1.47Å | 1.51Å | |
| C17 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| C7 | C6 | sing | 1.53Å | 1.59Å | |
| C18 | S | sing | 1.76Å | 1.75Å | |
| N2 | S | sing | 1.66Å | 1.72Å | |
| S | O7 | doub | 1.42Å | 1.43Å | |
| S | O8 | doub | 1.42Å | 1.42Å | |
| C6 | C8 | sing | 1.53Å | 1.56Å | |
| C6 | N1 | sing | 1.47Å | 1.45Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| N1 | C4 | sing | 1.35Å | 1.38Å | |
| C9 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | O4 | sing | 1.35Å | 1.40Å | |
| C4 | O5 | doub | 1.22Å | 1.22Å | |
| C10 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| O4 | C5 | sing | 1.45Å | 1.41Å | |
| C11 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| O50 | C3 | sing | 1.43Å | 1.44Å | |
| O50 | C27 | sing | 1.44Å | 1.43Å | |
| C3 | C5 | sing | 1.54Å | 1.54Å | |
| C5 | C50 | sing | 1.54Å | 1.54Å | |
| C12 | CL1 | sing | 1.74Å | 1.75Å | |
| C12 | C14 | doub | 1.39Å | 1.42Å | Aromatic |
| O9 | C2 | sing | 1.44Å | 1.44Å | |
| O9 | C27 | sing | 1.44Å | 1.42Å | |
| C2 | C1 | sing | 1.56Å | 1.54Å | |
| C27 | C50 | sing | 1.56Å | 1.54Å | |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | C50 | sing | 1.54Å | 1.51Å | |
| C14 | O60 | sing | 1.36Å | 1.38Å | |
| O60 | C60 | sing | 1.43Å | 1.43Å | |
| C23 | H1 | sing | 1.08Å | 1.08Å | |
| C22 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C19 | H4 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C7 | H19 | sing | 1.09Å | 1.10Å | |
| O6 | H20 | sing | 0.97Å | 0.95Å | |
| C6 | H21 | sing | 1.09Å | 1.10Å | |
| C8 | H22 | sing | 1.09Å | 1.10Å | |
| C8 | H23 | sing | 1.09Å | 1.10Å | |
| N1 | H24 | sing | 0.97Å | 1.00Å | |
| C5 | H25 | sing | 1.09Å | 1.10Å | |
| C50 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C3 | H28 | sing | 1.09Å | 1.10Å | |
| C3 | H29 | sing | 1.09Å | 1.10Å | |
| C2 | H30 | sing | 1.09Å | 1.10Å | |
| C2 | H31 | sing | 1.09Å | 1.10Å | |
| C1 | H32 | sing | 1.09Å | 1.10Å | |
| C1 | H33 | sing | 1.09Å | 1.10Å | |
| C11 | H34 | sing | 1.08Å | 1.08Å | |
| C13 | H35 | sing | 1.08Å | 1.08Å | |
| C60 | H36 | sing | 1.09Å | 1.10Å | |
| C60 | H37 | sing | 1.09Å | 1.10Å | |
| C60 | H38 | sing | 1.09Å | 1.10Å | |
| C10 | H39 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | O1 | C21 | 116.9° | 117.0° |
| O1 | C26 | H5 | 109.5° | 109.5° |
| O1 | C26 | H6 | 109.5° | 109.5° |
| O1 | C26 | H7 | 109.5° | 109.5° |
| O1 | C21 | C20 | 123.0° | 120.1° |
| O1 | C21 | C22 | 121.2° | 120.0° |
| C20 | C21 | C22 | 115.8° | 119.9° |
| C21 | C20 | C19 | 121.2° | 119.9° |
| C21 | C20 | H3 | 119.4° | 120.0° |
| C21 | C22 | C23 | 121.0° | 119.9° |
| C21 | C22 | H2 | 119.5° | 120.0° |
| C20 | C19 | C18 | 125.3° | 120.0° |
| C19 | C20 | H3 | 119.4° | 120.1° |
| C20 | C19 | H4 | 117.4° | 120.0° |
| C25 | C17 | C16 | 110.6° | 109.5° |
| C25 | C17 | C24 | 108.5° | 109.5° |
| C25 | C17 | H10 | 107.1° | 109.5° |
| C17 | C25 | H11 | 109.5° | 109.6° |
| C17 | C25 | H12 | 109.5° | 109.5° |
| C17 | C25 | H13 | 109.5° | 109.5° |
| C22 | C23 | C18 | 124.9° | 120.1° |
| C22 | C23 | H1 | 117.6° | 119.9° |
| C23 | C22 | H2 | 119.5° | 120.0° |
| O6 | C7 | C15 | 110.8° | 109.5° |
| O6 | C7 | C6 | 108.5° | 109.5° |
| O6 | C7 | H19 | 110.3° | 109.5° |
| C7 | O6 | H20 | 109.5° | 114.0° |
| C19 | C18 | C23 | 111.8° | 120.1° |
| C19 | C18 | S | 123.8° | 119.9° |
| C18 | C19 | H4 | 117.4° | 120.0° |
| C7 | C15 | N2 | 113.3° | 109.5° |
| C15 | C7 | C6 | 111.8° | 109.4° |
| C7 | C15 | H17 | 108.5° | 109.5° |
| C7 | C15 | H18 | 108.5° | 109.5° |
| C15 | C7 | H19 | 107.7° | 109.4° |
| C15 | N2 | C16 | 112.3° | 120.0° |
| C15 | N2 | S | 120.1° | 120.0° |
| N2 | C15 | H17 | 108.5° | 109.5° |
| N2 | C15 | H18 | 108.5° | 109.5° |
| C17 | C16 | N2 | 116.3° | 109.5° |
| C16 | C17 | C24 | 116.3° | 109.4° |
| C17 | C16 | H8 | 107.7° | 109.5° |
| C17 | C16 | H9 | 107.8° | 109.5° |
| C16 | C17 | H10 | 106.7° | 109.4° |
| C16 | N2 | S | 120.0° | 119.9° |
| N2 | C16 | H8 | 107.7° | 109.4° |
| N2 | C16 | H9 | 107.7° | 109.5° |
| C24 | C17 | H10 | 107.1° | 109.4° |
| C17 | C24 | H14 | 109.5° | 109.5° |
| C17 | C24 | H15 | 109.5° | 109.4° |
| C17 | C24 | H16 | 109.5° | 109.4° |
| C23 | C18 | S | 124.3° | 120.0° |
| C18 | C23 | H1 | 117.6° | 120.0° |
| C7 | C6 | C8 | 114.2° | 109.5° |
| C7 | C6 | N1 | 108.7° | 109.4° |
| C6 | C7 | H19 | 107.6° | 109.5° |
| C7 | C6 | H21 | 107.3° | 109.5° |
| C18 | S | N2 | 104.8° | 107.2° |
| C18 | S | O7 | 111.3° | 106.4° |
| C18 | S | O8 | 109.5° | 106.4° |
| N2 | S | O7 | 107.5° | 106.4° |
| N2 | S | O8 | 109.0° | 106.4° |
| O7 | S | O8 | 114.2° | 123.2° |
| C8 | C6 | N1 | 109.6° | 109.5° |
| C6 | C8 | C9 | 111.4° | 109.4° |
| C8 | C6 | H21 | 107.7° | 109.5° |
| C6 | C8 | H22 | 109.0° | 109.5° |
| C6 | C8 | H23 | 109.0° | 109.5° |
| C6 | N1 | C4 | 126.8° | 120.0° |
| N1 | C6 | H21 | 109.1° | 109.5° |
| C6 | N1 | H24 | 116.6° | 120.1° |
| C8 | C9 | C10 | 125.3° | 120.0° |
| C8 | C9 | C11 | 120.2° | 120.0° |
| C9 | C8 | H22 | 109.0° | 109.5° |
| C9 | C8 | H23 | 109.0° | 109.4° |
| N1 | C4 | O4 | 113.6° | 120.0° |
| N1 | C4 | O5 | 126.1° | 120.0° |
| C4 | N1 | H24 | 116.6° | 120.0° |
| C10 | C9 | C11 | 114.4° | 120.1° |
| C9 | C10 | C12 | 122.3° | 120.1° |
| C9 | C10 | H39 | 118.8° | 119.9° |
| C9 | C11 | C13 | 123.5° | 120.1° |
| C9 | C11 | H34 | 118.2° | 119.9° |
| O4 | C4 | O5 | 120.3° | 120.0° |
| C4 | O4 | C5 | 121.8° | 117.0° |
| C10 | C12 | CL1 | 120.5° | 120.0° |
| C10 | C12 | C14 | 122.7° | 119.9° |
| C12 | C10 | H39 | 118.9° | 120.0° |
| O4 | C5 | C3 | 108.4° | 110.5° |
| O4 | C5 | C50 | 110.1° | 110.5° |
| O4 | C5 | H25 | 114.0° | 110.4° |
| C11 | C13 | C14 | 122.5° | 120.0° |
| C13 | C11 | H34 | 118.2° | 120.0° |
| C11 | C13 | H35 | 118.8° | 120.0° |
| C3 | O50 | C27 | 109.6° | 106.1° |
| O50 | C3 | C5 | 104.7° | 105.0° |
| O50 | C3 | H28 | 110.6° | 110.4° |
| O50 | C3 | H29 | 110.6° | 110.4° |
| O50 | C27 | O9 | 112.7° | 109.1° |
| O50 | C27 | C50 | 105.2° | 104.7° |
| O50 | C27 | H27 | 110.3° | 112.5° |
| C3 | C5 | C50 | 99.2° | 104.2° |
| C3 | C5 | H25 | 112.1° | 110.6° |
| C5 | C3 | H28 | 110.7° | 109.6° |
| C5 | C3 | H29 | 110.7° | 110.8° |
| C5 | C50 | C27 | 106.2° | 104.0° |
| C5 | C50 | C1 | 113.4° | 108.8° |
| C50 | C5 | H25 | 112.1° | 110.5° |
| C5 | C50 | H26 | 110.9° | 112.8° |
| CL1 | C12 | C14 | 116.8° | 120.1° |
| C12 | C14 | C13 | 114.5° | 119.9° |
| C12 | C14 | O60 | 122.9° | 120.0° |
| C2 | O9 | C27 | 110.3° | 105.5° |
| O9 | C2 | C1 | 107.0° | 104.9° |
| O9 | C2 | H30 | 110.1° | 110.4° |
| O9 | C2 | H31 | 110.1° | 110.4° |
| O9 | C27 | C50 | 109.3° | 104.7° |
| O9 | C27 | H27 | 110.4° | 112.5° |
| C2 | C1 | C50 | 105.5° | 103.4° |
| C1 | C2 | H30 | 110.1° | 110.1° |
| C1 | C2 | H31 | 110.1° | 110.6° |
| C2 | C1 | H32 | 110.5° | 110.5° |
| C2 | C1 | H33 | 110.5° | 110.5° |
| C27 | C50 | C1 | 104.1° | 104.6° |
| C27 | C50 | H26 | 110.8° | 113.0° |
| C50 | C27 | H27 | 108.8° | 112.7° |
| C13 | C14 | O60 | 122.6° | 120.1° |
| C14 | C13 | H35 | 118.7° | 120.0° |
| C1 | C50 | H26 | 111.1° | 112.8° |
| C50 | C1 | H32 | 110.5° | 110.6° |
| C50 | C1 | H33 | 110.5° | 111.2° |
| C14 | O60 | C60 | 117.6° | 117.0° |
| O60 | C60 | H36 | 109.5° | 109.5° |
| O60 | C60 | H37 | 109.5° | 109.5° |
| O60 | C60 | H38 | 109.5° | 109.4° |
| H5 | C26 | H6 | 109.5° | 109.4° |
| H5 | C26 | H7 | 109.4° | 109.4° |
| H6 | C26 | H7 | 109.5° | 109.4° |
| H8 | C16 | H9 | 109.5° | 109.5° |
| H11 | C25 | H12 | 109.5° | 109.4° |
| H11 | C25 | H13 | 109.5° | 109.4° |
| H12 | C25 | H13 | 109.5° | 109.4° |
| H14 | C24 | H15 | 109.4° | 109.5° |
| H14 | C24 | H16 | 109.4° | 109.5° |
| H15 | C24 | H16 | 109.5° | 109.5° |
| H17 | C15 | H18 | 109.5° | 109.5° |
| H22 | C8 | H23 | 109.5° | 109.5° |
| H28 | C3 | H29 | 109.5° | 110.4° |
| H30 | C2 | H31 | 109.5° | 110.4° |
| H32 | C1 | H33 | 109.5° | 110.6° |
| H36 | C60 | H37 | 109.5° | 109.4° |
| H36 | C60 | H38 | 109.4° | 109.5° |
| H37 | C60 | H38 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | O1 | C21 | C20 | 176.9° | 180.0° |
| C26 | O1 | C21 | C22 | 3.7° | 0.3° |
| O1 | C26 | H5 | H6 | 120.0° | 120.0° |
| O1 | C26 | H5 | H7 | 120.0° | 120.1° |
| O1 | C26 | H6 | H7 | 120.0° | 120.1° |
| O1 | C21 | C20 | C22 | 179.4° | 179.8° |
| O1 | C21 | C20 | C19 | 179.8° | 180.0° |
| O1 | C21 | C22 | C23 | 179.8° | 179.7° |
| O1 | C21 | C22 | H2 | 0.2° | 0.2° |
| O1 | C21 | C20 | H3 | 0.2° | 0.3° |
| C21 | O1 | C26 | H5 | 180.0° | 180.0° |
| C21 | O1 | C26 | H6 | 60.0° | 60.0° |
| C21 | O1 | C26 | H7 | 60.0° | 60.0° |
| C21 | C20 | C19 | H3 | 180.0° | 179.7° |
| C20 | C21 | C22 | C23 | 0.8° | 0.0° |
| C21 | C20 | C19 | C18 | 0.9° | 0.5° |
| C20 | C21 | C22 | H2 | 179.2° | 180.0° |
| C21 | C20 | C19 | H4 | 179.1° | 180.0° |
| C22 | C21 | C20 | C19 | 0.8° | 0.2° |
| C21 | C22 | C23 | H2 | 180.0° | 180.0° |
| C21 | C22 | C23 | C18 | 0.8° | 0.0° |
| C21 | C22 | C23 | H1 | 179.1° | 180.0° |
| C22 | C21 | C20 | H3 | 179.2° | 180.0° |
| C20 | C19 | C18 | H4 | 180.0° | 179.4° |
| C20 | C19 | C18 | C23 | 0.8° | 0.5° |
| C20 | C19 | C18 | S | 178.4° | 179.7° |
| C25 | C17 | C16 | C24 | 124.4° | 120.0° |
| C25 | C17 | C16 | H10 | 116.2° | 120.0° |
| C25 | C17 | C16 | N2 | 174.5° | 65.2° |
| C25 | C17 | C24 | H10 | 115.3° | 120.1° |
| C25 | C17 | C16 | H8 | 64.5° | 54.7° |
| C25 | C17 | C16 | H9 | 53.5° | 174.7° |
| C17 | C25 | H11 | H12 | 120.0° | 120.0° |
| C17 | C25 | H11 | H13 | 120.0° | 120.1° |
| C17 | C25 | H12 | H13 | 120.0° | 120.0° |
| C25 | C17 | C24 | H14 | 180.0° | 180.0° |
| C25 | C17 | C24 | H15 | 60.0° | 60.0° |
| C25 | C17 | C24 | H16 | 60.0° | 59.9° |
| C22 | C23 | C18 | C19 | 0.8° | 0.2° |
| C22 | C23 | C18 | H1 | 180.0° | 180.0° |
| C22 | C23 | C18 | S | 178.4° | 180.0° |
| O6 | C7 | C15 | C6 | 121.2° | 120.0° |
| O6 | C7 | C15 | H19 | 120.8° | 120.0° |
| O6 | C7 | C15 | N2 | 173.0° | 65.0° |
| O6 | C7 | C6 | H19 | 119.3° | 120.1° |
| O6 | C7 | C6 | C8 | 52.1° | 55.0° |
| O6 | C7 | C6 | N1 | 70.7° | 65.0° |
| O6 | C7 | C15 | H17 | 66.5° | 55.0° |
| O6 | C7 | C15 | H18 | 52.4° | 175.0° |
| O6 | C7 | C6 | H21 | 171.4° | 175.0° |
| C19 | C18 | C23 | S | 177.6° | 179.8° |
| C19 | C18 | S | N2 | 86.9° | 90.3° |
| C19 | C18 | S | O7 | 29.0° | 156.2° |
| C19 | C18 | S | O8 | 156.2° | 23.2° |
| C19 | C18 | C23 | H1 | 179.2° | 179.8° |
| C18 | C19 | C20 | H3 | 179.2° | 179.7° |
| C7 | C15 | N2 | H17 | 120.6° | 120.0° |
| C7 | C15 | N2 | H18 | 120.6° | 120.0° |
| C7 | C15 | N2 | C16 | 101.3° | 85.9° |
| C15 | C7 | C6 | H19 | 118.1° | 120.0° |
| C7 | C15 | N2 | S | 109.2° | 94.1° |
| C15 | C7 | C6 | C8 | 70.4° | 65.0° |
| C15 | C7 | C6 | N1 | 166.8° | 175.0° |
| C7 | C15 | H17 | H18 | 118.3° | 120.0° |
| C15 | C7 | O6 | H20 | 180.0° | 60.0° |
| C15 | C7 | C6 | H21 | 48.9° | 55.1° |
| C15 | N2 | C16 | C17 | 78.6° | 86.6° |
| C15 | N2 | C16 | S | 149.6° | 180.0° |
| N2 | C15 | C7 | C6 | 65.9° | 175.0° |
| C15 | N2 | S | C18 | 89.4° | 90.0° |
| C15 | N2 | S | O7 | 29.1° | 23.6° |
| C15 | N2 | S | O8 | 153.5° | 156.5° |
| C15 | N2 | C16 | H8 | 42.4° | 33.4° |
| C15 | N2 | C16 | H9 | 160.4° | 153.4° |
| N2 | C15 | H17 | H18 | 118.2° | 120.0° |
| N2 | C15 | C7 | H19 | 52.2° | 55.0° |
| C17 | C16 | N2 | H8 | 121.0° | 120.0° |
| C17 | C16 | N2 | H9 | 121.0° | 120.0° |
| C16 | C17 | C24 | H10 | 119.2° | 119.9° |
| C17 | C16 | N2 | S | 131.8° | 93.5° |
| C17 | C16 | H8 | H9 | 116.9° | 120.0° |
| C16 | C17 | C25 | H11 | 180.0° | 67.5° |
| C16 | C17 | C25 | H12 | 60.0° | 52.5° |
| C16 | C17 | C25 | H13 | 60.0° | 172.5° |
| C16 | C17 | C24 | H14 | 54.6° | 60.0° |
| C16 | C17 | C24 | H15 | 65.4° | 180.0° |
| C16 | C17 | C24 | H16 | 174.5° | 60.1° |
| N2 | C16 | C17 | C24 | 50.1° | 174.7° |
| C16 | N2 | S | C18 | 57.8° | 90.0° |
| C16 | N2 | S | O7 | 176.3° | 156.5° |
| C16 | N2 | S | O8 | 59.3° | 23.6° |
| N2 | C16 | H8 | H9 | 116.9° | 120.0° |
| N2 | C16 | C17 | H10 | 69.3° | 54.8° |
| C16 | N2 | C15 | H17 | 138.2° | 34.1° |
| C16 | N2 | C15 | H18 | 19.3° | 154.1° |
| C24 | C17 | C16 | H8 | 171.1° | 65.3° |
| C24 | C17 | C16 | H9 | 70.9° | 54.7° |
| C24 | C17 | C25 | H11 | 51.3° | 172.5° |
| C24 | C17 | C25 | H12 | 68.7° | 67.4° |
| C24 | C17 | C25 | H13 | 171.3° | 52.5° |
| C17 | C24 | H14 | H15 | 120.0° | 120.0° |
| C17 | C24 | H14 | H16 | 120.0° | 120.0° |
| C17 | C24 | H15 | H16 | 120.0° | 119.9° |
| C23 | C18 | S | N2 | 90.4° | 90.0° |
| C23 | C18 | S | O7 | 153.7° | 23.6° |
| C23 | C18 | S | O8 | 26.4° | 156.5° |
| C18 | C23 | C22 | H2 | 179.1° | 180.0° |
| C23 | C18 | C19 | H4 | 179.2° | 180.0° |
| C7 | C6 | C8 | N1 | 122.3° | 119.9° |
| C7 | C6 | C8 | H21 | 119.1° | 120.0° |
| C7 | C6 | N1 | H21 | 116.8° | 119.9° |
| C7 | C6 | C8 | C9 | 169.4° | 175.0° |
| C7 | C6 | N1 | C4 | 105.7° | 155.0° |
| C6 | C7 | C15 | H17 | 54.7° | 65.0° |
| C6 | C7 | C15 | H18 | 173.6° | 55.0° |
| C6 | C7 | O6 | H20 | 56.9° | 59.9° |
| C7 | C6 | C8 | H22 | 49.1° | 65.0° |
| C7 | C6 | C8 | H23 | 70.3° | 55.1° |
| C7 | C6 | N1 | H24 | 74.3° | 25.0° |
| C18 | S | N2 | O7 | 118.5° | 113.5° |
| C18 | S | N2 | O8 | 117.2° | 113.6° |
| C18 | S | O7 | O8 | 124.6° | 123.0° |
| S | C18 | C23 | H1 | 1.6° | 0.0° |
| S | C18 | C19 | H4 | 1.6° | 0.3° |
| N2 | S | O7 | O8 | 121.1° | 122.9° |
| S | N2 | C16 | H8 | 107.2° | 146.6° |
| S | N2 | C16 | H9 | 10.8° | 26.6° |
| S | N2 | C15 | H17 | 11.4° | 145.9° |
| S | N2 | C15 | H18 | 130.3° | 25.9° |
| C8 | C6 | N1 | H21 | 117.7° | 120.1° |
| C6 | C8 | C9 | H22 | 120.3° | 120.0° |
| C6 | C8 | C9 | H23 | 120.3° | 120.0° |
| C8 | C6 | N1 | C4 | 128.8° | 85.0° |
| C6 | C8 | C9 | C10 | 107.9° | 90.0° |
| C6 | C8 | C9 | C11 | 70.2° | 89.8° |
| C8 | C6 | C7 | H19 | 171.4° | 175.0° |
| C6 | C8 | H22 | H23 | 119.1° | 120.1° |
| C8 | C6 | N1 | H24 | 51.2° | 95.0° |
| N1 | C6 | C8 | C9 | 47.1° | 65.0° |
| C6 | N1 | C4 | H24 | 180.0° | 180.0° |
| C6 | N1 | C4 | O4 | 173.6° | 180.0° |
| C6 | N1 | C4 | O5 | 6.5° | 0.1° |
| N1 | C6 | C7 | H19 | 48.6° | 55.0° |
| N1 | C6 | C8 | H22 | 73.2° | 54.9° |
| N1 | C6 | C8 | H23 | 167.4° | 175.0° |
| C8 | C9 | C10 | C11 | 178.2° | 179.8° |
| C8 | C9 | C10 | C12 | 178.9° | 179.7° |
| C8 | C9 | C11 | C13 | 179.1° | 180.0° |
| C9 | C8 | C6 | H21 | 71.5° | 55.0° |
| C9 | C8 | H22 | H23 | 119.1° | 120.0° |
| C8 | C9 | C11 | H34 | 0.9° | 0.1° |
| C8 | C9 | C10 | H39 | 1.1° | 0.0° |
| N1 | C4 | O4 | O5 | 180.0° | 180.0° |
| N1 | C4 | O4 | C5 | 167.5° | 180.0° |
| C4 | N1 | C6 | H21 | 11.1° | 35.1° |
| C9 | C10 | C12 | H39 | 180.0° | 179.7° |
| C10 | C9 | C11 | C13 | 0.9° | 0.3° |
| C9 | C10 | C12 | CL1 | 179.6° | 179.7° |
| C9 | C10 | C12 | C14 | 0.2° | 0.5° |
| C10 | C9 | C8 | H22 | 12.4° | 30.0° |
| C10 | C9 | C8 | H23 | 131.8° | 150.0° |
| C10 | C9 | C11 | H34 | 179.1° | 179.7° |
| C11 | C9 | C10 | C12 | 0.7° | 0.5° |
| C9 | C11 | C13 | H34 | 180.0° | 180.0° |
| C9 | C11 | C13 | C14 | 0.4° | 0.0° |
| C11 | C9 | C8 | H22 | 169.6° | 150.2° |
| C11 | C9 | C8 | H23 | 50.1° | 30.2° |
| C9 | C11 | C13 | H35 | 179.6° | 180.0° |
| C11 | C9 | C10 | H39 | 179.3° | 179.8° |
| C4 | O4 | C5 | C3 | 145.2° | 95.2° |
| C4 | O4 | C5 | C50 | 107.2° | 150.0° |
| O4 | C4 | N1 | H24 | 6.4° | 0.0° |
| C4 | O4 | C5 | H25 | 19.7° | 27.5° |
| O5 | C4 | O4 | C5 | 12.5° | 0.0° |
| O5 | C4 | N1 | H24 | 173.5° | 180.0° |
| C10 | C12 | CL1 | C14 | 179.8° | 179.8° |
| C10 | C12 | C14 | C13 | 0.3° | 0.2° |
| C10 | C12 | C14 | O60 | 179.8° | 179.7° |
| O4 | C5 | C3 | O50 | 76.4° | 94.5° |
| O4 | C5 | C3 | C50 | 114.8° | 118.6° |
| O4 | C5 | C3 | H25 | 126.7° | 122.6° |
| O4 | C5 | C50 | H25 | 128.0° | 122.5° |
| O4 | C5 | C50 | C27 | 83.4° | 117.6° |
| O4 | C5 | C50 | C1 | 30.3° | 6.5° |
| O4 | C5 | C50 | H26 | 156.2° | 119.5° |
| O4 | C5 | C3 | H28 | 42.8° | 146.9° |
| O4 | C5 | C3 | H29 | 164.3° | 24.7° |
| C11 | C13 | C14 | C12 | 0.2° | 0.0° |
| C11 | C13 | C14 | H35 | 180.0° | 180.0° |
| C11 | C13 | C14 | O60 | 179.9° | 180.0° |
| O50 | C3 | C5 | H28 | 119.2° | 118.6° |
| O50 | C3 | C5 | H29 | 119.3° | 119.2° |
| O50 | C3 | C5 | C50 | 38.4° | 24.1° |
| C3 | O50 | C27 | O9 | 132.7° | 150.6° |
| C3 | O50 | C27 | C50 | 13.7° | 39.0° |
| O50 | C3 | C5 | H25 | 156.9° | 142.9° |
| C3 | O50 | C27 | H27 | 103.5° | 83.7° |
| O50 | C3 | H28 | H29 | 122.2° | 122.4° |
| C27 | O50 | C3 | C5 | 34.0° | 39.9° |
| O50 | C27 | C50 | C5 | 11.8° | 22.2° |
| O50 | C27 | O9 | C2 | 114.8° | 71.6° |
| O50 | C27 | O9 | C50 | 116.5° | 111.6° |
| O50 | C27 | O9 | H27 | 123.8° | 125.6° |
| O50 | C27 | C50 | H27 | 118.1° | 122.7° |
| O50 | C27 | C50 | C1 | 131.8° | 91.9° |
| O50 | C27 | C50 | H26 | 108.7° | 145.0° |
| C27 | O50 | C3 | H28 | 153.2° | 78.2° |
| C27 | O50 | C3 | H29 | 85.3° | 159.4° |
| C3 | C5 | C50 | H25 | 118.5° | 118.8° |
| C3 | C5 | C50 | C27 | 30.1° | 1.0° |
| C3 | C5 | C50 | C1 | 143.8° | 112.1° |
| C3 | C5 | C50 | H26 | 90.3° | 121.9° |
| C5 | C3 | H28 | H29 | 122.2° | 122.4° |
| C5 | C50 | C27 | O9 | 109.4° | 137.0° |
| C5 | C50 | C1 | C2 | 97.1° | 109.5° |
| C5 | C50 | C27 | C1 | 120.0° | 114.1° |
| C5 | C50 | C27 | H26 | 120.5° | 122.7° |
| C5 | C50 | C1 | H26 | 125.7° | 126.0° |
| C5 | C50 | C27 | H27 | 129.9° | 100.4° |
| C50 | C5 | C3 | H28 | 157.7° | 94.4° |
| C50 | C5 | C3 | H29 | 80.8° | 143.4° |
| C5 | C50 | C1 | H32 | 143.5° | 8.7° |
| C5 | C50 | C1 | H33 | 22.3° | 131.9° |
| CL1 | C12 | C14 | C13 | 179.9° | 180.0° |
| CL1 | C12 | C14 | O60 | 0.0° | 0.1° |
| CL1 | C12 | C10 | H39 | 0.4° | 0.0° |
| C12 | C14 | C13 | O60 | 179.9° | 180.0° |
| C12 | C14 | O60 | C60 | 125.9° | 180.0° |
| C12 | C14 | C13 | H35 | 179.8° | 180.0° |
| C14 | C12 | C10 | H39 | 179.8° | 179.8° |
| O9 | C2 | C1 | H30 | 119.6° | 118.8° |
| O9 | C2 | C1 | H31 | 119.6° | 119.0° |
| C2 | O9 | C27 | C50 | 1.7° | 40.0° |
| O9 | C2 | C1 | C50 | 19.6° | 24.8° |
| C2 | O9 | C27 | H27 | 121.4° | 162.7° |
| O9 | C2 | H30 | H31 | 121.1° | 122.3° |
| O9 | C2 | C1 | H32 | 99.8° | 143.2° |
| O9 | C2 | C1 | H33 | 139.0° | 94.2° |
| C27 | O9 | C2 | C1 | 13.3° | 40.9° |
| O9 | C27 | C50 | H27 | 120.7° | 122.6° |
| O9 | C27 | C50 | C1 | 10.6° | 22.9° |
| O9 | C27 | C50 | H26 | 130.1° | 100.3° |
| C27 | O9 | C2 | H30 | 133.0° | 159.5° |
| C27 | O9 | C2 | H31 | 106.3° | 78.2° |
| C2 | C1 | C50 | C27 | 17.9° | 1.1° |
| C2 | C1 | C50 | H32 | 119.4° | 118.3° |
| C2 | C1 | C50 | H33 | 119.4° | 118.5° |
| C2 | C1 | C50 | H26 | 137.2° | 124.4° |
| C1 | C2 | H30 | H31 | 121.1° | 122.4° |
| C2 | C1 | H32 | H33 | 121.9° | 122.6° |
| C27 | C50 | C1 | H26 | 119.3° | 123.3° |
| C27 | C50 | C5 | H25 | 148.6° | 119.8° |
| C27 | C50 | C1 | H32 | 101.5° | 119.4° |
| C27 | C50 | C1 | H33 | 137.2° | 117.4° |
| C13 | C14 | O60 | C60 | 53.9° | 0.0° |
| C14 | C13 | C11 | H34 | 179.6° | 180.0° |
| C1 | C50 | C5 | H25 | 97.7° | 129.1° |
| C1 | C50 | C27 | H27 | 110.1° | 145.5° |
| C50 | C1 | C2 | H30 | 139.2° | 143.6° |
| C50 | C1 | C2 | H31 | 100.0° | 94.2° |
| C50 | C1 | H32 | H33 | 121.8° | 123.6° |
| O60 | C14 | C13 | H35 | 0.1° | 0.0° |
| C14 | O60 | C60 | H36 | 180.0° | 60.0° |
| C14 | O60 | C60 | H37 | 60.0° | 179.9° |
| C14 | O60 | C60 | H38 | 60.0° | 60.0° |
| O60 | C60 | H36 | H37 | 120.0° | 120.0° |
| O60 | C60 | H36 | H38 | 120.0° | 120.0° |
| O60 | C60 | H37 | H38 | 120.0° | 120.0° |
| H1 | C23 | C22 | H2 | 0.9° | 0.0° |
| H3 | C20 | C19 | H4 | 0.9° | 0.3° |
| H5 | C26 | H6 | H7 | 120.0° | 119.9° |
| H8 | C16 | C17 | H10 | 51.6° | 174.7° |
| H9 | C16 | C17 | H10 | 169.7° | 65.2° |
| H10 | C17 | C25 | H11 | 64.0° | 52.5° |
| H10 | C17 | C25 | H12 | 175.9° | 172.5° |
| H10 | C17 | C25 | H13 | 56.0° | 67.5° |
| H10 | C17 | C24 | H14 | 64.7° | 59.9° |
| H10 | C17 | C24 | H15 | 175.3° | 60.1° |
| H10 | C17 | C24 | H16 | 55.3° | NaN° |
| H11 | C25 | H12 | H13 | 120.0° | 119.9° |
| H14 | C24 | H15 | H16 | 119.9° | 120.1° |
| H17 | C15 | C7 | H19 | 172.7° | 175.0° |
| H18 | C15 | C7 | H19 | 68.4° | 65.0° |
| H19 | C7 | O6 | H20 | 60.7° | 180.0° |
| H19 | C7 | C6 | H21 | 69.3° | 64.9° |
| H21 | C6 | C8 | H22 | 168.2° | 175.0° |
| H21 | C6 | C8 | H23 | 48.8° | 64.9° |
| H21 | C6 | N1 | H24 | 168.9° | 144.9° |
| H25 | C5 | C50 | H26 | 28.2° | 3.0° |
| H25 | C5 | C3 | H28 | 83.9° | 24.3° |
| H25 | C5 | C3 | H29 | 37.6° | 97.9° |
| H26 | C50 | C27 | H27 | 9.5° | 22.3° |
| H26 | C50 | C1 | H32 | 17.8° | 117.3° |
| H26 | C50 | C1 | H33 | 103.4° | 5.9° |
| H30 | C2 | C1 | H32 | 19.9° | 98.1° |
| H30 | C2 | C1 | H33 | 101.4° | 24.6° |
| H31 | C2 | C1 | H32 | 140.6° | 24.2° |
| H31 | C2 | C1 | H33 | 19.3° | 146.8° |
| H34 | C11 | C13 | H35 | 0.4° | 0.0° |
| H36 | C60 | H37 | H38 | 120.0° | 120.0° |
