6MX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C19 | sing | 1.53Å | 1.53Å | |
| C27 | C25 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| O3 | C25 | sing | 1.43Å | 1.43Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C26 | C21 | sing | 1.53Å | 1.53Å | |
| C18 | N2 | sing | 1.46Å | 1.45Å | |
| C18 | C23 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| N2 | C17 | sing | 1.35Å | 1.33Å | |
| O2 | C17 | doub | 1.22Å | 1.22Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C17 | C9 | sing | 1.47Å | 1.50Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.41Å | 1.39Å | Aromatic |
| S | C11 | sing | 1.81Å | 1.77Å | |
| S | C10 | sing | 1.76Å | 1.69Å | |
| C11 | C16 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.37Å | 1.39Å | Aromatic |
| C10 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| N1 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| C6 | N | sing | 1.38Å | 1.40Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| N | C5 | sing | 1.48Å | 1.45Å | |
| N | C4 | sing | 1.48Å | 1.45Å | |
| C5 | C2 | sing | 1.54Å | 1.53Å | |
| C4 | C3 | sing | 1.55Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.55Å | 1.52Å | |
| O | C | doub | 1.21Å | 1.33Å | |
| C | O1 | sing | 1.34Å | 1.22Å | |
| N2 | H1 | sing | 0.97Å | 1.00Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å | |
| C23 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| O3 | H8 | sing | 0.97Å | 0.95Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.08Å | 1.08Å | |
| C7 | H18 | sing | 1.08Å | 1.08Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å | |
| C13 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| C12 | H29 | sing | 1.09Å | 1.10Å | |
| C4 | H30 | sing | 1.09Å | 1.10Å | |
| C4 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C5 | H34 | sing | 1.09Å | 1.10Å | |
| C5 | H35 | sing | 1.09Å | 1.10Å | |
| C2 | H36 | sing | 1.09Å | 1.10Å | |
| C1 | H37 | sing | 1.09Å | 1.10Å | |
| C1 | H38 | sing | 1.09Å | 1.10Å | |
| O1 | H39 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C27 | C25 | 109.4° | 109.5° |
| C27 | C19 | C20 | 108.7° | 109.5° |
| C27 | C19 | C18 | 109.8° | 109.4° |
| C19 | C27 | H14 | 109.5° | 109.5° |
| C19 | C27 | H15 | 109.5° | 109.4° |
| C27 | C19 | H16 | 109.4° | 109.5° |
| C27 | C25 | O3 | 109.2° | 109.5° |
| C27 | C25 | C26 | 109.3° | 109.4° |
| C27 | C25 | C24 | 109.9° | 109.4° |
| C25 | C27 | H14 | 109.5° | 109.5° |
| C25 | C27 | H15 | 109.5° | 109.5° |
| C20 | C19 | C18 | 110.1° | 109.5° |
| C19 | C20 | C21 | 110.0° | 109.5° |
| C19 | C20 | H12 | 109.3° | 109.5° |
| C19 | C20 | H13 | 109.3° | 109.4° |
| C20 | C19 | H16 | 109.4° | 109.5° |
| C19 | C18 | N2 | 111.1° | 109.5° |
| C19 | C18 | C23 | 109.0° | 109.5° |
| C19 | C18 | H2 | 108.5° | 109.5° |
| C18 | C19 | H16 | 109.5° | 109.5° |
| C20 | C21 | C26 | 109.2° | 109.4° |
| C20 | C21 | C22 | 109.2° | 109.5° |
| C20 | C21 | H11 | 109.8° | 109.4° |
| C21 | C20 | H12 | 109.3° | 109.5° |
| C21 | C20 | H13 | 109.3° | 109.4° |
| O3 | C25 | C26 | 109.6° | 109.5° |
| O3 | C25 | C24 | 109.5° | 109.5° |
| C25 | O3 | H8 | 109.5° | 114.0° |
| C26 | C25 | C24 | 109.3° | 109.5° |
| C25 | C26 | C21 | 109.7° | 109.5° |
| C25 | C26 | H9 | 109.4° | 109.6° |
| C25 | C26 | H10 | 109.4° | 109.4° |
| C25 | C24 | C23 | 109.3° | 109.5° |
| C25 | C24 | H6 | 109.5° | 109.5° |
| C25 | C24 | H7 | 109.5° | 109.5° |
| C26 | C21 | C22 | 108.9° | 109.5° |
| C21 | C26 | H9 | 109.4° | 109.5° |
| C21 | C26 | H10 | 109.4° | 109.4° |
| C26 | C21 | H11 | 109.9° | 109.5° |
| N2 | C18 | C23 | 110.4° | 109.5° |
| C18 | N2 | C17 | 120.2° | 120.0° |
| C18 | N2 | H1 | 119.9° | 120.0° |
| N2 | C18 | H2 | 109.4° | 109.4° |
| C18 | C23 | C24 | 109.8° | 109.5° |
| C18 | C23 | C22 | 110.1° | 109.5° |
| C23 | C18 | H2 | 108.4° | 109.5° |
| C18 | C23 | H3 | 109.3° | 109.5° |
| C21 | C22 | C23 | 109.9° | 109.5° |
| C21 | C22 | H4 | 109.4° | 109.5° |
| C21 | C22 | H5 | 109.3° | 109.4° |
| C22 | C21 | H11 | 109.9° | 109.5° |
| N2 | C17 | O2 | 121.1° | 120.0° |
| N2 | C17 | C9 | 120.2° | 120.0° |
| C17 | N2 | H1 | 119.9° | 120.0° |
| O2 | C17 | C9 | 118.6° | 120.0° |
| C13 | C12 | C11 | 110.0° | 109.5° |
| C12 | C13 | C14 | 110.8° | 109.5° |
| C12 | C13 | H26 | 109.1° | 109.5° |
| C12 | C13 | H27 | 109.1° | 109.4° |
| C13 | C12 | H28 | 109.3° | 109.4° |
| C13 | C12 | H29 | 109.3° | 109.4° |
| C12 | C11 | S | 110.8° | 109.5° |
| C12 | C11 | C16 | 108.7° | 109.5° |
| C12 | C11 | H19 | 110.2° | 109.5° |
| C11 | C12 | H28 | 109.4° | 109.5° |
| C11 | C12 | H29 | 109.4° | 109.5° |
| C24 | C23 | C22 | 108.9° | 109.4° |
| C24 | C23 | H3 | 109.3° | 109.5° |
| C23 | C24 | H6 | 109.5° | 109.5° |
| C23 | C24 | H7 | 109.5° | 109.5° |
| C13 | C14 | C15 | 110.9° | 109.5° |
| C13 | C14 | H24 | 109.1° | 109.5° |
| C13 | C14 | H25 | 109.1° | 109.4° |
| C14 | C13 | H26 | 109.1° | 109.5° |
| C14 | C13 | H27 | 109.1° | 109.5° |
| C17 | C9 | C8 | 119.0° | 120.5° |
| C17 | C9 | C10 | 121.6° | 120.5° |
| C22 | C23 | H3 | 109.3° | 109.4° |
| C23 | C22 | H4 | 109.4° | 109.5° |
| C23 | C22 | H5 | 109.4° | 109.5° |
| C8 | C9 | C10 | 119.4° | 118.9° |
| C9 | C8 | C7 | 119.5° | 118.6° |
| C9 | C8 | H17 | 120.2° | 120.7° |
| C9 | C10 | S | 121.8° | 119.9° |
| C9 | C10 | N1 | 120.1° | 120.3° |
| C11 | S | C10 | 107.3° | 100.0° |
| S | C11 | C16 | 109.7° | 109.5° |
| S | C11 | H19 | 107.3° | 109.5° |
| S | C10 | N1 | 118.1° | 119.8° |
| C11 | C16 | C15 | 110.5° | 109.5° |
| C16 | C11 | H19 | 110.2° | 109.5° |
| C11 | C16 | H20 | 109.2° | 109.5° |
| C11 | C16 | H21 | 109.2° | 109.5° |
| C8 | C7 | C6 | 119.1° | 119.6° |
| C7 | C8 | H17 | 120.3° | 120.7° |
| C8 | C7 | H18 | 120.5° | 120.2° |
| C10 | N1 | C6 | 121.5° | 121.5° |
| C7 | C6 | N1 | 120.3° | 121.0° |
| C7 | C6 | N | 120.9° | 119.5° |
| C6 | C7 | H18 | 120.4° | 120.2° |
| C14 | C15 | C16 | 110.7° | 109.5° |
| C14 | C15 | H22 | 109.2° | 109.5° |
| C14 | C15 | H23 | 109.2° | 109.5° |
| C15 | C14 | H24 | 109.1° | 109.5° |
| C15 | C14 | H25 | 109.1° | 109.5° |
| N1 | C6 | N | 118.9° | 119.5° |
| C6 | N | C5 | 122.0° | 111.0° |
| C6 | N | C4 | 120.5° | 111.0° |
| C15 | C16 | H20 | 109.2° | 109.4° |
| C15 | C16 | H21 | 109.2° | 109.5° |
| C16 | C15 | H22 | 109.1° | 109.4° |
| C16 | C15 | H23 | 109.2° | 109.4° |
| C5 | N | C4 | 117.5° | 105.8° |
| N | C5 | C2 | 101.1° | 107.1° |
| N | C5 | H34 | 111.5° | 109.9° |
| N | C5 | H35 | 111.5° | 109.9° |
| N | C4 | C3 | 101.4° | 103.2° |
| N | C4 | H30 | 111.5° | 110.7° |
| N | C4 | H31 | 111.5° | 110.7° |
| C5 | C2 | C1 | 110.9° | 110.3° |
| C5 | C2 | C3 | 108.0° | 105.1° |
| C2 | C5 | H34 | 111.5° | 109.9° |
| C2 | C5 | H35 | 111.5° | 110.0° |
| C5 | C2 | H36 | 109.3° | 110.3° |
| C4 | C3 | C2 | 108.6° | 102.9° |
| C3 | C4 | H30 | 111.4° | 110.7° |
| C3 | C4 | H31 | 111.4° | 110.6° |
| C4 | C3 | H32 | 109.7° | 110.7° |
| C4 | C3 | H33 | 109.7° | 110.7° |
| C2 | C1 | C | 108.8° | 109.5° |
| C1 | C2 | C3 | 109.9° | 110.3° |
| C1 | C2 | H36 | 109.4° | 110.4° |
| C2 | C1 | H37 | 109.6° | 109.5° |
| C2 | C1 | H38 | 109.7° | 109.4° |
| C1 | C | O | 120.7° | 120.0° |
| C1 | C | O1 | 120.3° | 120.0° |
| C | C1 | H37 | 109.7° | 109.5° |
| C | C1 | H38 | 109.6° | 109.5° |
| C2 | C3 | H32 | 109.7° | 110.8° |
| C2 | C3 | H33 | 109.7° | 110.8° |
| C3 | C2 | H36 | 109.4° | 110.3° |
| O | C | O1 | 119.0° | 120.0° |
| C | O1 | H39 | 109.5° | 116.9° |
| H4 | C22 | H5 | 109.5° | 109.5° |
| H6 | C24 | H7 | 109.5° | 109.4° |
| H9 | C26 | H10 | 109.4° | 109.4° |
| H12 | C20 | H13 | 109.5° | 109.5° |
| H14 | C27 | H15 | 109.5° | 109.5° |
| H20 | C16 | H21 | 109.5° | 109.5° |
| H22 | C15 | H23 | 109.4° | 109.5° |
| H24 | C14 | H25 | 109.5° | 109.5° |
| H26 | C13 | H27 | 109.5° | 109.5° |
| H28 | C12 | H29 | 109.5° | 109.5° |
| H30 | C4 | H31 | 109.5° | 110.7° |
| H32 | C3 | H33 | 109.5° | 110.6° |
| H34 | C5 | H35 | 109.4° | 110.1° |
| H37 | C1 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C27 | C25 | H14 | 120.0° | 120.1° |
| C19 | C27 | C25 | H15 | 120.0° | 120.0° |
| C27 | C19 | C20 | C18 | 120.3° | 120.0° |
| C27 | C19 | C20 | H16 | 119.3° | 120.0° |
| C27 | C19 | C18 | H16 | 120.1° | 120.0° |
| C27 | C19 | C20 | C21 | 60.7° | 60.0° |
| C19 | C27 | C25 | O3 | 179.3° | 180.0° |
| C19 | C27 | C25 | C26 | 60.8° | 60.0° |
| C19 | C27 | C25 | C24 | 59.2° | 60.0° |
| C27 | C19 | C18 | N2 | 177.8° | 180.0° |
| C27 | C19 | C18 | C23 | 60.3° | 60.0° |
| C27 | C19 | C18 | H2 | 57.6° | 60.0° |
| C27 | C19 | C20 | H12 | 179.3° | 60.0° |
| C27 | C19 | C20 | H13 | 59.4° | 179.9° |
| C19 | C27 | H14 | H15 | 120.1° | 120.0° |
| C25 | C27 | C19 | C20 | 60.8° | 60.0° |
| C25 | C27 | C19 | C18 | 59.7° | 60.0° |
| C27 | C25 | O3 | C26 | 119.7° | 119.9° |
| C27 | C25 | O3 | C24 | 120.3° | 120.0° |
| C27 | C25 | C26 | C24 | 120.3° | 119.9° |
| C27 | C25 | C26 | C21 | 60.0° | 60.0° |
| C27 | C25 | C24 | C23 | 59.4° | 60.0° |
| C27 | C25 | C24 | H6 | 179.3° | 60.1° |
| C27 | C25 | C24 | H7 | 60.6° | 180.0° |
| C27 | C25 | O3 | H8 | 180.0° | 60.0° |
| C27 | C25 | C26 | H9 | 60.1° | 60.0° |
| C27 | C25 | C26 | H10 | 180.0° | 180.0° |
| C25 | C27 | H14 | H15 | 120.0° | 120.0° |
| C25 | C27 | C19 | H16 | 179.8° | 180.0° |
| C20 | C19 | C18 | H16 | 120.3° | 120.0° |
| C19 | C20 | C21 | H12 | 120.1° | 120.0° |
| C19 | C20 | C21 | H13 | 120.1° | 120.0° |
| C19 | C20 | C21 | C26 | 59.9° | 60.0° |
| C20 | C19 | C18 | N2 | 62.6° | 60.0° |
| C20 | C19 | C18 | C23 | 59.3° | 60.0° |
| C19 | C20 | C21 | C22 | 59.0° | 59.9° |
| C20 | C19 | C18 | H2 | 177.2° | 180.0° |
| C19 | C20 | C21 | H11 | 179.5° | 180.0° |
| C19 | C20 | H12 | H13 | 119.8° | 120.0° |
| C20 | C19 | C27 | H14 | 59.1° | 180.0° |
| C20 | C19 | C27 | H15 | 179.2° | 60.0° |
| C18 | C19 | C20 | C21 | 59.7° | 60.0° |
| C19 | C18 | N2 | C23 | 121.1° | 120.0° |
| C19 | C18 | N2 | H2 | 119.7° | 120.0° |
| C19 | C18 | C23 | H2 | 117.9° | 120.0° |
| C19 | C18 | N2 | C17 | 135.8° | 85.0° |
| C19 | C18 | C23 | C24 | 60.6° | 60.0° |
| C19 | C18 | C23 | C22 | 59.4° | 60.0° |
| C19 | C18 | N2 | H1 | 44.2° | 95.0° |
| C19 | C18 | C23 | H3 | 179.5° | 180.0° |
| C18 | C19 | C20 | H12 | 60.4° | 180.0° |
| C18 | C19 | C20 | H13 | 179.7° | 60.0° |
| C18 | C19 | C27 | H14 | 179.7° | 60.0° |
| C18 | C19 | C27 | H15 | 60.3° | 180.0° |
| C20 | C21 | C26 | C25 | 59.3° | 60.1° |
| C20 | C21 | C26 | C22 | 119.1° | 120.0° |
| C20 | C21 | C26 | H11 | 120.5° | 120.0° |
| C20 | C21 | C22 | H11 | 120.5° | 120.0° |
| C20 | C21 | C22 | C23 | 59.0° | 60.0° |
| C20 | C21 | C22 | H4 | 61.0° | 180.0° |
| C20 | C21 | C22 | H5 | 179.1° | 60.0° |
| C20 | C21 | C26 | H9 | 60.7° | 60.1° |
| C20 | C21 | C26 | H10 | 179.4° | 180.0° |
| C21 | C20 | H12 | H13 | 119.8° | 120.0° |
| C21 | C20 | C19 | H16 | 180.0° | 180.0° |
| O3 | C25 | C26 | C24 | 120.1° | 120.1° |
| O3 | C25 | C26 | C21 | 179.6° | 180.0° |
| O3 | C25 | C24 | C23 | 179.3° | 179.9° |
| O3 | C25 | C24 | H6 | 60.8° | 59.9° |
| O3 | C25 | C24 | H7 | 59.3° | 60.0° |
| O3 | C25 | C26 | H9 | 59.5° | 59.9° |
| O3 | C25 | C26 | H10 | 60.3° | 60.1° |
| O3 | C25 | C27 | H14 | 60.7° | 60.0° |
| O3 | C25 | C27 | H15 | 59.3° | 60.0° |
| C25 | C26 | C21 | H9 | 120.0° | 120.1° |
| C25 | C26 | C21 | H10 | 120.0° | 119.9° |
| C25 | C26 | C21 | C22 | 59.8° | 59.9° |
| C26 | C25 | C24 | C23 | 60.6° | 60.0° |
| C26 | C25 | C24 | H6 | 59.4° | 180.0° |
| C26 | C25 | C24 | H7 | 179.4° | 60.1° |
| C26 | C25 | O3 | H8 | 60.3° | 59.9° |
| C25 | C26 | H9 | H10 | 119.9° | 120.0° |
| C25 | C26 | C21 | H11 | 179.8° | 180.0° |
| C26 | C25 | C27 | H14 | 59.2° | 180.0° |
| C26 | C25 | C27 | H15 | 179.2° | 60.0° |
| C24 | C25 | C26 | C21 | 60.3° | 59.9° |
| C25 | C24 | C23 | C18 | 60.1° | 60.0° |
| C25 | C24 | C23 | H6 | 120.0° | 120.0° |
| C25 | C24 | C23 | H7 | 120.0° | 120.0° |
| C25 | C24 | C23 | C22 | 60.6° | 60.0° |
| C25 | C24 | C23 | H3 | 179.9° | 179.9° |
| C25 | C24 | H6 | H7 | 120.1° | 119.9° |
| C24 | C25 | O3 | H8 | 59.7° | 180.0° |
| C24 | C25 | C26 | H9 | 179.6° | 180.0° |
| C24 | C25 | C26 | H10 | 59.7° | 60.0° |
| C24 | C25 | C27 | H14 | 179.1° | 60.1° |
| C24 | C25 | C27 | H15 | 60.8° | 180.0° |
| C26 | C21 | C22 | H11 | 120.4° | 120.1° |
| C26 | C21 | C22 | C23 | 60.1° | 60.0° |
| C26 | C21 | C22 | H4 | 179.9° | 60.1° |
| C26 | C21 | C22 | H5 | 60.0° | 180.0° |
| C21 | C26 | H9 | H10 | 119.9° | 119.9° |
| C26 | C21 | C20 | H12 | 180.0° | 60.0° |
| C26 | C21 | C20 | H13 | 60.1° | 180.0° |
| N2 | C18 | C23 | H2 | 119.8° | 120.0° |
| C18 | N2 | C17 | H1 | 180.0° | 180.0° |
| C18 | N2 | C17 | O2 | 9.6° | 0.1° |
| N2 | C18 | C23 | C24 | 177.1° | 180.0° |
| C18 | N2 | C17 | C9 | 170.1° | 179.7° |
| N2 | C18 | C23 | C22 | 62.9° | 60.0° |
| N2 | C18 | C23 | H3 | 57.2° | 60.0° |
| N2 | C18 | C19 | H16 | 57.7° | 60.0° |
| C18 | C23 | C22 | C21 | 59.8° | 60.0° |
| C23 | C18 | N2 | C17 | 103.1° | 154.9° |
| C18 | C23 | C24 | C22 | 120.7° | 120.0° |
| C18 | C23 | C24 | H3 | 119.9° | 120.1° |
| C18 | C23 | C22 | H3 | 120.1° | 120.0° |
| C23 | C18 | N2 | H1 | 76.8° | 25.0° |
| C18 | C23 | C22 | H4 | 60.2° | 180.0° |
| C18 | C23 | C22 | H5 | 179.9° | 60.0° |
| C18 | C23 | C24 | H6 | 179.9° | 60.0° |
| C18 | C23 | C24 | H7 | 59.8° | 180.0° |
| C23 | C18 | C19 | H16 | 179.6° | 180.0° |
| C21 | C22 | C23 | C24 | 60.6° | 60.0° |
| C21 | C22 | C23 | H4 | 120.1° | 120.0° |
| C21 | C22 | C23 | H5 | 120.0° | 120.0° |
| C21 | C22 | C23 | H3 | 180.0° | 180.0° |
| C21 | C22 | H4 | H5 | 119.8° | 119.9° |
| C22 | C21 | C26 | H9 | 179.8° | 180.0° |
| C22 | C21 | C26 | H10 | 60.3° | 60.0° |
| C22 | C21 | C20 | H12 | 61.1° | 180.0° |
| C22 | C21 | C20 | H13 | 179.1° | 60.0° |
| N2 | C17 | O2 | C9 | 179.7° | 179.8° |
| N2 | C17 | C9 | C8 | 171.4° | 0.2° |
| N2 | C17 | C9 | C10 | 9.1° | 179.5° |
| C17 | N2 | C18 | H2 | 16.1° | 35.0° |
| O2 | C17 | C9 | C8 | 8.9° | 180.0° |
| O2 | C17 | C9 | C10 | 170.6° | 0.3° |
| O2 | C17 | N2 | H1 | 170.4° | 180.0° |
| C13 | C12 | C11 | H28 | 120.1° | 120.0° |
| C13 | C12 | C11 | H29 | 120.1° | 119.9° |
| C12 | C13 | C14 | H26 | 120.2° | 120.0° |
| C12 | C13 | C14 | H27 | 120.2° | 120.0° |
| C13 | C12 | C11 | S | 178.8° | 180.0° |
| C13 | C12 | C11 | C16 | 60.6° | 60.0° |
| C12 | C13 | C14 | C15 | 55.3° | 60.0° |
| C13 | C12 | C11 | H19 | 60.2° | 60.0° |
| C12 | C13 | C14 | H24 | 175.5° | 60.0° |
| C12 | C13 | C14 | H25 | 64.9° | 180.0° |
| C12 | C13 | H26 | H27 | 119.4° | 119.9° |
| C13 | C12 | H28 | H29 | 119.7° | 120.0° |
| C11 | C12 | C13 | C14 | 58.5° | 60.0° |
| C12 | C11 | S | C16 | 120.0° | 120.0° |
| C12 | C11 | S | H19 | 120.3° | 120.0° |
| C12 | C11 | S | C10 | 155.0° | 65.0° |
| C12 | C11 | C16 | H19 | 120.8° | 120.0° |
| C12 | C11 | C16 | C15 | 60.4° | 60.0° |
| C12 | C11 | C16 | H20 | 59.8° | 60.0° |
| C12 | C11 | C16 | H21 | 179.5° | 180.0° |
| C11 | C12 | C13 | H26 | 61.6° | 180.0° |
| C11 | C12 | C13 | H27 | 178.8° | 60.0° |
| C11 | C12 | H28 | H29 | 119.8° | 120.1° |
| C24 | C23 | C22 | H3 | 119.4° | 120.0° |
| C24 | C23 | C18 | H2 | 57.3° | 60.1° |
| C24 | C23 | C22 | H4 | 179.3° | 60.0° |
| C24 | C23 | C22 | H5 | 59.4° | 180.0° |
| C23 | C24 | H6 | H7 | 120.1° | 120.0° |
| C13 | C14 | C15 | H24 | 120.2° | 120.0° |
| C13 | C14 | C15 | H25 | 120.2° | 120.0° |
| C13 | C14 | C15 | C16 | 54.8° | 60.0° |
| C13 | C14 | C15 | H22 | 65.4° | 180.0° |
| C13 | C14 | C15 | H23 | 175.0° | 60.0° |
| C13 | C14 | H24 | H25 | 119.4° | 120.0° |
| C14 | C13 | H26 | H27 | 119.4° | 120.0° |
| C14 | C13 | C12 | H28 | 61.5° | 180.0° |
| C14 | C13 | C12 | H29 | 178.6° | 60.0° |
| C17 | C9 | C8 | C10 | 179.5° | 179.7° |
| C17 | C9 | C10 | S | 0.4° | 0.1° |
| C17 | C9 | C8 | C7 | 179.8° | 180.0° |
| C17 | C9 | C10 | N1 | 179.7° | 180.0° |
| C9 | C17 | N2 | H1 | 9.9° | 0.2° |
| C17 | C9 | C8 | H17 | 0.2° | 0.1° |
| C22 | C23 | C18 | H2 | 177.3° | 180.0° |
| C23 | C22 | H4 | H5 | 119.8° | 120.0° |
| C22 | C23 | C24 | H6 | 59.4° | 180.0° |
| C22 | C23 | C24 | H7 | 179.5° | 60.0° |
| C23 | C22 | C21 | H11 | 179.5° | 179.9° |
| C8 | C9 | C10 | S | 179.9° | 179.8° |
| C9 | C8 | C7 | H17 | 180.0° | 179.9° |
| C8 | C9 | C10 | N1 | 0.2° | 0.3° |
| C9 | C8 | C7 | C6 | 0.0° | 0.0° |
| C9 | C8 | C7 | H18 | 179.9° | 180.0° |
| C9 | C10 | S | C11 | 163.1° | 180.0° |
| C9 | C10 | S | N1 | 179.9° | 179.9° |
| C10 | C9 | C8 | C7 | 0.3° | 0.3° |
| C9 | C10 | N1 | C6 | 0.0° | 0.0° |
| C10 | C9 | C8 | H17 | 179.7° | 179.8° |
| S | C11 | C16 | H19 | 117.9° | 120.0° |
| C11 | S | C10 | N1 | 16.8° | 0.1° |
| S | C11 | C16 | C15 | 178.4° | 180.0° |
| S | C11 | C16 | H20 | 61.5° | 60.0° |
| S | C11 | C16 | H21 | 58.2° | 60.0° |
| S | C11 | C12 | H28 | 61.1° | 60.1° |
| S | C11 | C12 | H29 | 58.7° | 60.0° |
| C10 | S | C11 | C16 | 85.0° | 175.0° |
| S | C10 | N1 | C6 | 179.9° | 179.9° |
| C10 | S | C11 | H19 | 34.7° | 55.0° |
| C11 | C16 | C15 | C14 | 57.8° | 60.0° |
| C11 | C16 | C15 | H20 | 120.2° | 120.0° |
| C11 | C16 | C15 | H21 | 120.1° | 120.0° |
| C11 | C16 | H20 | H21 | 119.5° | 120.0° |
| C11 | C16 | C15 | H22 | 62.4° | 180.0° |
| C11 | C16 | C15 | H23 | 178.0° | 60.0° |
| C16 | C11 | C12 | H28 | 59.5° | 180.0° |
| C16 | C11 | C12 | H29 | 179.4° | 59.9° |
| C8 | C7 | C6 | H18 | 180.0° | 180.0° |
| C8 | C7 | C6 | N1 | 0.2° | 0.3° |
| C8 | C7 | C6 | N | 179.9° | 180.0° |
| C10 | N1 | C6 | C7 | 0.3° | 0.3° |
| C10 | N1 | C6 | N | 179.9° | 180.0° |
| C7 | C6 | N1 | N | 179.7° | 179.7° |
| C7 | C6 | N | C5 | 3.5° | 180.0° |
| C7 | C6 | N | C4 | 176.2° | 62.6° |
| C6 | C7 | C8 | H17 | 180.0° | 179.9° |
| C14 | C15 | C16 | H22 | 120.2° | 120.0° |
| C14 | C15 | C16 | H23 | 120.2° | 120.0° |
| C14 | C15 | C16 | H20 | 62.4° | 60.0° |
| C14 | C15 | C16 | H21 | 177.9° | 180.0° |
| C14 | C15 | H22 | H23 | 119.4° | 120.1° |
| C15 | C14 | H24 | H25 | 119.3° | 120.0° |
| C15 | C14 | C13 | H26 | 64.9° | 180.0° |
| C15 | C14 | C13 | H27 | 175.5° | 60.0° |
| N1 | C6 | N | C5 | 176.9° | 0.3° |
| N1 | C6 | N | C4 | 3.5° | 117.1° |
| N1 | C6 | C7 | H18 | 179.8° | 179.7° |
| C6 | N | C5 | C4 | 179.7° | 120.5° |
| C6 | N | C5 | C2 | 159.9° | 145.9° |
| C6 | N | C4 | C3 | 163.3° | 159.7° |
| N | C6 | C7 | H18 | 0.1° | 0.0° |
| C6 | N | C4 | H30 | 78.0° | 81.8° |
| C6 | N | C4 | H31 | 44.6° | 41.3° |
| C6 | N | C5 | H34 | 41.3° | 26.5° |
| C6 | N | C5 | H35 | 81.4° | 94.8° |
| C15 | C16 | C11 | H19 | 60.5° | 60.0° |
| C15 | C16 | H20 | H21 | 119.5° | 120.0° |
| C16 | C15 | H22 | H23 | 119.4° | 119.9° |
| C16 | C15 | C14 | H24 | 175.0° | 60.0° |
| C16 | C15 | C14 | H25 | 65.5° | 180.0° |
| N | C5 | C2 | H34 | 118.7° | 119.3° |
| N | C5 | C2 | H35 | 118.6° | 119.4° |
| C5 | N | C4 | C3 | 16.4° | 39.2° |
| N | C5 | C2 | C1 | 134.5° | 117.7° |
| N | C5 | C2 | C3 | 14.1° | 1.2° |
| C5 | N | C4 | H30 | 102.3° | 157.6° |
| C5 | N | C4 | H31 | 135.1° | 79.2° |
| N | C5 | H34 | H35 | 123.9° | 121.2° |
| N | C5 | C2 | H36 | 104.8° | 120.1° |
| C4 | N | C5 | C2 | 19.7° | 25.3° |
| N | C4 | C3 | H30 | 118.7° | 118.5° |
| N | C4 | C3 | H31 | 118.7° | 118.5° |
| N | C4 | C3 | C2 | 5.4° | 37.4° |
| N | C4 | H30 | H31 | 123.8° | 123.1° |
| N | C4 | C3 | H32 | 125.3° | 81.0° |
| N | C4 | C3 | H33 | 114.5° | 155.9° |
| C4 | N | C5 | H34 | 138.4° | 94.0° |
| C4 | N | C5 | H35 | 98.9° | 144.7° |
| C5 | C2 | C3 | C4 | 5.6° | 22.0° |
| C5 | C2 | C1 | C3 | 119.3° | 115.7° |
| C5 | C2 | C1 | H36 | 120.6° | 122.2° |
| C5 | C2 | C1 | C | 178.4° | 175.0° |
| C5 | C2 | C3 | H36 | 118.9° | 118.9° |
| C5 | C2 | C3 | H32 | 114.3° | 96.4° |
| C5 | C2 | C3 | H33 | 125.5° | 140.4° |
| C2 | C5 | H34 | H35 | 123.9° | 121.3° |
| C5 | C2 | C1 | H37 | 58.5° | 55.0° |
| C5 | C2 | C1 | H38 | 61.7° | 65.0° |
| C4 | C3 | C2 | C1 | 126.7° | 140.9° |
| C4 | C3 | C2 | H32 | 119.9° | 118.4° |
| C4 | C3 | C2 | H33 | 119.9° | 118.4° |
| C3 | C4 | H30 | H31 | 123.7° | 123.1° |
| C4 | C3 | H32 | H33 | 120.4° | 123.2° |
| C4 | C3 | C2 | H36 | 113.3° | 97.0° |
| C2 | C1 | C | H37 | 119.9° | 120.0° |
| C2 | C1 | C | H38 | 119.9° | 119.9° |
| C1 | C2 | C3 | H36 | 120.1° | 122.2° |
| C2 | C1 | C | O | 131.0° | 0.0° |
| C2 | C1 | C | O1 | 49.2° | 180.0° |
| C1 | C2 | C3 | H32 | 6.8° | 22.5° |
| C1 | C2 | C3 | H33 | 113.5° | 100.7° |
| C1 | C2 | C5 | H34 | 106.9° | 123.0° |
| C1 | C2 | C5 | H35 | 15.8° | 1.7° |
| C2 | C1 | H37 | H38 | 120.3° | 119.9° |
| C | C1 | C2 | C3 | 62.3° | 69.3° |
| C1 | C | O | O1 | 179.8° | 180.0° |
| C | C1 | C2 | H36 | 57.8° | 52.8° |
| C | C1 | H37 | H38 | 120.3° | 120.1° |
| C1 | C | O1 | H39 | 179.8° | 180.0° |
| C2 | C3 | C4 | H30 | 113.3° | 155.9° |
| C2 | C3 | C4 | H31 | 124.1° | 81.0° |
| C2 | C3 | H32 | H33 | 120.4° | 123.3° |
| C3 | C2 | C5 | H34 | 132.7° | 118.1° |
| C3 | C2 | C5 | H35 | 104.6° | 120.6° |
| C3 | C2 | C1 | H37 | 177.8° | 170.7° |
| C3 | C2 | C1 | H38 | 57.6° | 50.7° |
| O | C | C1 | H37 | 109.1° | 120.0° |
| O | C | C1 | H38 | 11.1° | 120.0° |
| O | C | O1 | H39 | 0.0° | 0.0° |
| O1 | C | C1 | H37 | 70.7° | 60.0° |
| O1 | C | C1 | H38 | 169.1° | 60.0° |
| H1 | N2 | C18 | H2 | 163.9° | 145.0° |
| H2 | C18 | C23 | H3 | 62.6° | 60.0° |
| H2 | C18 | C19 | H16 | 62.5° | 59.9° |
| H3 | C23 | C22 | H4 | 59.9° | 60.0° |
| H3 | C23 | C22 | H5 | 60.0° | 60.0° |
| H3 | C23 | C24 | H6 | 60.0° | 60.1° |
| H3 | C23 | C24 | H7 | 60.1° | 59.9° |
| H4 | C22 | C21 | H11 | 59.5° | 60.0° |
| H5 | C22 | C21 | H11 | 60.4° | 60.0° |
| H9 | C26 | C21 | H11 | 59.8° | 59.9° |
| H10 | C26 | C21 | H11 | 60.1° | 60.0° |
| H11 | C21 | C20 | H12 | 59.5° | 60.0° |
| H11 | C21 | C20 | H13 | 60.4° | 60.0° |
| H12 | C20 | C19 | H16 | 59.9° | 60.0° |
| H13 | C20 | C19 | H16 | 60.0° | 60.0° |
| H14 | C27 | C19 | H16 | 60.2° | 60.0° |
| H15 | C27 | C19 | H16 | 59.9° | 60.0° |
| H17 | C8 | C7 | H18 | 0.1° | 0.1° |
| H19 | C11 | C16 | H20 | 179.4° | 180.0° |
| H19 | C11 | C16 | H21 | 59.7° | 60.0° |
| H19 | C11 | C12 | H28 | 179.7° | 60.0° |
| H19 | C11 | C12 | H29 | 59.8° | 180.0° |
| H20 | C16 | C15 | H22 | 177.4° | 60.0° |
| H20 | C16 | C15 | H23 | 57.8° | 180.0° |
| H21 | C16 | C15 | H22 | 57.7° | 59.9° |
| H21 | C16 | C15 | H23 | 61.8° | 60.0° |
| H22 | C15 | C14 | H24 | 54.8° | 60.0° |
| H22 | C15 | C14 | H25 | 174.3° | 60.0° |
| H23 | C15 | C14 | H24 | 64.8° | 180.0° |
| H23 | C15 | C14 | H25 | 54.7° | 60.0° |
| H24 | C14 | C13 | H26 | 55.3° | 60.0° |
| H24 | C14 | C13 | H27 | 64.3° | 180.0° |
| H25 | C14 | C13 | H26 | 174.9° | 60.0° |
| H25 | C14 | C13 | H27 | 55.3° | 60.0° |
| H26 | C13 | C12 | H28 | 178.3° | 60.0° |
| H26 | C13 | C12 | H29 | 58.5° | 60.0° |
| H27 | C13 | C12 | H28 | 58.7° | 60.0° |
| H27 | C13 | C12 | H29 | 61.1° | 180.0° |
| H30 | C4 | C3 | H32 | 6.6° | 37.5° |
| H30 | C4 | C3 | H33 | 126.8° | 85.6° |
| H31 | C4 | C3 | H32 | 116.0° | 160.6° |
| H31 | C4 | C3 | H33 | 4.2° | 37.5° |
| H32 | C3 | C2 | H36 | 126.9° | 144.7° |
| H33 | C3 | C2 | H36 | 6.6° | 21.5° |
| H34 | C5 | C2 | H36 | 13.8° | 0.8° |
| H35 | C5 | C2 | H36 | 136.5° | 120.5° |
| H36 | C2 | C1 | H37 | 62.1° | 67.2° |
| H36 | C2 | C1 | H38 | 177.6° | 172.8° |
