M73
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C23 | C25 | sing | 1.51Å | 1.49Å | |
| C22 | O23 | sing | 1.45Å | 1.43Å | |
| C36 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| O27 | C25 | sing | 1.34Å | 1.41Å | |
| O27 | C28 | sing | 1.45Å | 1.44Å | |
| C25 | O26 | doub | 1.21Å | 1.22Å | |
| O22 | C21 | doub | 1.22Å | 1.22Å | |
| C37 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| O23 | C21 | sing | 1.35Å | 1.41Å | |
| C33 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | N20 | sing | 1.35Å | 1.32Å | |
| C38 | C32 | sing | 1.51Å | 1.52Å | |
| O9 | S8 | doub | 1.42Å | 1.45Å | |
| N20 | C19 | sing | 1.47Å | 1.46Å | |
| C32 | C19 | sing | 1.53Å | 1.54Å | |
| C19 | C17 | sing | 1.53Å | 1.53Å | |
| O10 | S8 | doub | 1.42Å | 1.41Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| S8 | N11 | sing | 1.66Å | 1.62Å | |
| S8 | C5 | sing | 1.76Å | 1.65Å | |
| N11 | C12 | sing | 1.47Å | 1.49Å | |
| N11 | C16 | sing | 1.46Å | 1.48Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C17 | O18 | sing | 1.43Å | 1.45Å | |
| C5 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.54Å | |
| C18 | C15 | sing | 1.53Å | 1.51Å | |
| C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.38Å | |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| C22 | H1 | sing | 1.09Å | 1.10Å | |
| C22 | H2 | sing | 1.09Å | 1.10Å | |
| C23 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| N20 | H10 | sing | 0.97Å | 1.00Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C32 | H12 | sing | 1.09Å | 1.10Å | |
| C32 | H13 | sing | 1.09Å | 1.10Å | |
| C37 | H14 | sing | 1.08Å | 1.08Å | |
| C36 | H15 | sing | 1.08Å | 1.08Å | |
| C35 | H16 | sing | 1.08Å | 1.08Å | |
| C34 | H17 | sing | 1.08Å | 1.08Å | |
| C33 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| O18 | H20 | sing | 0.97Å | 0.95Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| C15 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C4 | H34 | sing | 1.08Å | 1.08Å | |
| C3 | H35 | sing | 1.08Å | 1.08Å | |
| C6 | H36 | sing | 1.08Å | 1.08Å | |
| C7 | H37 | sing | 1.08Å | 1.08Å | |
| C1 | H38 | sing | 1.09Å | 1.10Å | |
| C1 | H39 | sing | 1.09Å | 1.10Å | |
| C1 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | C35 | C34 | 120.5° | 120.0° |
| C35 | C36 | C37 | 120.1° | 120.0° |
| C35 | C36 | H15 | 119.9° | 120.0° |
| C36 | C35 | H16 | 119.8° | 120.1° |
| C35 | C34 | C33 | 119.2° | 120.0° |
| C34 | C35 | H16 | 119.7° | 120.0° |
| C35 | C34 | H17 | 120.4° | 120.0° |
| C24 | C23 | C22 | 111.6° | 109.5° |
| C24 | C23 | C25 | 112.7° | 109.5° |
| C24 | C23 | H3 | 108.4° | 109.5° |
| C23 | C24 | H4 | 109.5° | 109.5° |
| C23 | C24 | H5 | 109.5° | 109.5° |
| C23 | C24 | H6 | 109.4° | 109.4° |
| C22 | C23 | C25 | 106.7° | 109.5° |
| C23 | C22 | O23 | 107.5° | 109.5° |
| C23 | C22 | H1 | 110.0° | 109.5° |
| C23 | C22 | H2 | 109.9° | 109.5° |
| C22 | C23 | H3 | 108.4° | 109.5° |
| C23 | C25 | O27 | 117.0° | 120.0° |
| C23 | C25 | O26 | 124.5° | 120.0° |
| C25 | C23 | H3 | 108.8° | 109.5° |
| C22 | O23 | C21 | 115.7° | 117.0° |
| O23 | C22 | H1 | 110.0° | 109.5° |
| O23 | C22 | H2 | 109.9° | 109.5° |
| C36 | C37 | C38 | 119.8° | 120.0° |
| C36 | C37 | H14 | 120.1° | 120.0° |
| C37 | C36 | H15 | 120.0° | 120.0° |
| C34 | C33 | C38 | 120.7° | 120.0° |
| C33 | C34 | H17 | 120.4° | 119.9° |
| C34 | C33 | H18 | 119.7° | 120.1° |
| C25 | O27 | C28 | 121.2° | 117.0° |
| O27 | C25 | O26 | 118.6° | 120.0° |
| O27 | C28 | H7 | 109.5° | 109.5° |
| O27 | C28 | H8 | 109.5° | 109.5° |
| O27 | C28 | H9 | 109.5° | 109.5° |
| O22 | C21 | O23 | 119.1° | 120.0° |
| O22 | C21 | N20 | 128.0° | 120.0° |
| C37 | C38 | C33 | 119.7° | 120.0° |
| C37 | C38 | C32 | 119.8° | 120.0° |
| C38 | C37 | H14 | 120.1° | 120.0° |
| O23 | C21 | N20 | 112.7° | 120.0° |
| C33 | C38 | C32 | 120.5° | 120.0° |
| C38 | C33 | H18 | 119.7° | 120.0° |
| C21 | N20 | C19 | 120.9° | 120.0° |
| C21 | N20 | H10 | 119.5° | 120.0° |
| C38 | C32 | C19 | 108.8° | 109.5° |
| C38 | C32 | H12 | 109.6° | 109.5° |
| C38 | C32 | H13 | 109.6° | 109.5° |
| O9 | S8 | O10 | 116.0° | 123.1° |
| O9 | S8 | N11 | 105.4° | 106.4° |
| O9 | S8 | C5 | 108.7° | 106.4° |
| N20 | C19 | C32 | 108.2° | 109.4° |
| N20 | C19 | C17 | 109.7° | 109.4° |
| C19 | N20 | H10 | 119.6° | 120.0° |
| N20 | C19 | H11 | 108.2° | 109.5° |
| C32 | C19 | C17 | 115.7° | 109.5° |
| C32 | C19 | H11 | 107.3° | 109.5° |
| C19 | C32 | H12 | 109.7° | 109.5° |
| C19 | C32 | H13 | 109.6° | 109.4° |
| C19 | C17 | C16 | 114.3° | 109.4° |
| C19 | C17 | O18 | 108.5° | 109.5° |
| C17 | C19 | H11 | 107.4° | 109.4° |
| C19 | C17 | H19 | 108.4° | 109.5° |
| O10 | S8 | N11 | 107.5° | 106.4° |
| O10 | S8 | C5 | 108.6° | 106.4° |
| C14 | C13 | C12 | 111.4° | 109.4° |
| C14 | C13 | C15 | 113.4° | 109.5° |
| C14 | C13 | H25 | 107.7° | 109.5° |
| C13 | C14 | H26 | 109.5° | 109.5° |
| C13 | C14 | H27 | 109.5° | 109.5° |
| C13 | C14 | H28 | 109.4° | 109.5° |
| N11 | S8 | C5 | 110.6° | 107.2° |
| S8 | N11 | C12 | 113.9° | 119.9° |
| S8 | N11 | C16 | 117.1° | 120.0° |
| S8 | C5 | C4 | 122.6° | 120.0° |
| S8 | C5 | C6 | 121.0° | 119.9° |
| C12 | N11 | C16 | 113.0° | 120.0° |
| N11 | C12 | C13 | 112.3° | 109.5° |
| N11 | C12 | H23 | 108.8° | 109.5° |
| N11 | C12 | H24 | 108.8° | 109.4° |
| N11 | C16 | C17 | 107.9° | 109.4° |
| N11 | C16 | H21 | 109.9° | 109.5° |
| N11 | C16 | H22 | 109.9° | 109.5° |
| C16 | C17 | O18 | 107.8° | 109.5° |
| C16 | C17 | H19 | 108.3° | 109.5° |
| C17 | C16 | H21 | 109.9° | 109.5° |
| C17 | C16 | H22 | 109.9° | 109.4° |
| O18 | C17 | H19 | 109.5° | 109.5° |
| C17 | O18 | H20 | 109.5° | 114.0° |
| C4 | C5 | C6 | 116.3° | 120.1° |
| C5 | C4 | C3 | 122.9° | 120.1° |
| C5 | C4 | H34 | 118.6° | 119.9° |
| C5 | C6 | C7 | 121.2° | 120.1° |
| C5 | C6 | H36 | 119.4° | 119.9° |
| C4 | C3 | C2 | 119.3° | 120.0° |
| C3 | C4 | H34 | 118.6° | 120.0° |
| C4 | C3 | H35 | 120.4° | 120.1° |
| C12 | C13 | C15 | 109.0° | 109.5° |
| C13 | C12 | H23 | 108.8° | 109.5° |
| C13 | C12 | H24 | 108.8° | 109.5° |
| C12 | C13 | H25 | 107.6° | 109.5° |
| C13 | C15 | C18 | 113.9° | 109.5° |
| C15 | C13 | H25 | 107.6° | 109.5° |
| C13 | C15 | H29 | 108.3° | 109.5° |
| C13 | C15 | H30 | 108.4° | 109.5° |
| C18 | C15 | H29 | 108.4° | 109.5° |
| C18 | C15 | H30 | 108.4° | 109.4° |
| C15 | C18 | H31 | 109.5° | 109.5° |
| C15 | C18 | H32 | 109.5° | 109.5° |
| C15 | C18 | H33 | 109.5° | 109.5° |
| C6 | C7 | C2 | 120.9° | 119.9° |
| C7 | C6 | H36 | 119.4° | 120.0° |
| C6 | C7 | H37 | 119.6° | 120.0° |
| C3 | C2 | C7 | 119.5° | 119.9° |
| C3 | C2 | O1 | 122.0° | 120.1° |
| C2 | C3 | H35 | 120.4° | 120.0° |
| C7 | C2 | O1 | 118.5° | 120.0° |
| C2 | C7 | H37 | 119.5° | 120.1° |
| C2 | O1 | C1 | 119.1° | 117.0° |
| O1 | C1 | H38 | 109.5° | 109.5° |
| O1 | C1 | H39 | 109.5° | 109.5° |
| O1 | C1 | H40 | 109.5° | 109.5° |
| H1 | C22 | H2 | 109.5° | 109.4° |
| H4 | C24 | H5 | 109.5° | 109.5° |
| H4 | C24 | H6 | 109.5° | 109.5° |
| H5 | C24 | H6 | 109.5° | 109.5° |
| H7 | C28 | H8 | 109.5° | 109.5° |
| H7 | C28 | H9 | 109.4° | 109.4° |
| H8 | C28 | H9 | 109.5° | 109.4° |
| H12 | C32 | H13 | 109.5° | 109.5° |
| H21 | C16 | H22 | 109.5° | 109.5° |
| H23 | C12 | H24 | 109.4° | 109.4° |
| H26 | C14 | H27 | 109.5° | 109.4° |
| H26 | C14 | H28 | 109.5° | 109.5° |
| H27 | C14 | H28 | 109.5° | 109.5° |
| H29 | C15 | H30 | 109.5° | 109.5° |
| H31 | C18 | H32 | 109.5° | 109.5° |
| H31 | C18 | H33 | 109.4° | 109.4° |
| H32 | C18 | H33 | 109.5° | 109.5° |
| H38 | C1 | H39 | 109.5° | 109.5° |
| H38 | C1 | H40 | 109.4° | 109.5° |
| H39 | C1 | H40 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | C35 | C34 | H16 | 180.0° | 180.0° |
| C35 | C36 | C37 | H15 | 180.0° | 179.9° |
| C36 | C35 | C34 | C33 | 0.2° | 0.2° |
| C35 | C36 | C37 | C38 | 1.4° | 0.1° |
| C35 | C36 | C37 | H14 | 178.5° | 180.0° |
| C36 | C35 | C34 | H17 | 179.8° | 179.9° |
| C34 | C35 | C36 | C37 | 0.8° | 0.1° |
| C35 | C34 | C33 | H17 | 180.0° | 179.9° |
| C35 | C34 | C33 | C38 | 0.2° | 0.5° |
| C34 | C35 | C36 | H15 | 179.2° | 180.0° |
| C35 | C34 | C33 | H18 | 179.8° | 180.0° |
| C24 | C23 | C22 | C25 | 123.6° | 120.0° |
| C24 | C23 | C22 | H3 | 119.4° | 120.0° |
| C24 | C23 | C25 | H3 | 120.3° | 120.0° |
| C24 | C23 | C22 | O23 | 67.0° | 65.0° |
| C24 | C23 | C25 | O27 | 179.3° | 60.0° |
| C24 | C23 | C25 | O26 | 0.7° | 120.0° |
| C24 | C23 | C22 | H1 | 173.3° | 175.0° |
| C24 | C23 | C22 | H2 | 52.7° | 55.0° |
| C23 | C24 | H4 | H5 | 120.0° | 120.0° |
| C23 | C24 | H4 | H6 | 120.0° | 120.0° |
| C23 | C24 | H5 | H6 | 120.0° | 120.0° |
| C22 | C23 | C25 | H3 | 116.8° | 120.0° |
| C23 | C22 | O23 | H1 | 119.7° | 120.0° |
| C23 | C22 | O23 | H2 | 119.7° | 120.0° |
| C22 | C23 | C25 | O27 | 56.4° | 180.0° |
| C22 | C23 | C25 | O26 | 123.6° | 0.0° |
| C23 | C22 | O23 | C21 | 177.5° | 180.0° |
| C23 | C22 | H1 | H2 | 120.9° | 120.0° |
| C22 | C23 | C24 | H4 | 180.0° | 60.1° |
| C22 | C23 | C24 | H5 | 60.0° | 60.0° |
| C22 | C23 | C24 | H6 | 60.0° | 180.0° |
| C25 | C23 | C22 | O23 | 56.6° | 175.0° |
| C23 | C25 | O27 | O26 | 180.0° | 180.0° |
| C23 | C25 | O27 | C28 | 178.0° | 180.0° |
| C25 | C23 | C22 | H1 | 63.1° | 55.0° |
| C25 | C23 | C22 | H2 | 176.3° | 65.0° |
| C25 | C23 | C24 | H4 | 59.9° | 60.0° |
| C25 | C23 | C24 | H5 | 60.2° | 180.0° |
| C25 | C23 | C24 | H6 | 179.9° | 60.0° |
| C22 | O23 | C21 | O22 | 11.5° | 0.1° |
| C22 | O23 | C21 | N20 | 163.9° | 179.7° |
| O23 | C22 | H1 | H2 | 120.9° | 120.0° |
| O23 | C22 | C23 | H3 | 173.7° | 55.0° |
| C36 | C37 | C38 | H14 | 180.0° | 180.0° |
| C36 | C37 | C38 | C33 | 1.4° | 0.2° |
| C36 | C37 | C38 | C32 | 176.5° | 180.0° |
| C37 | C36 | C35 | H16 | 179.2° | 179.9° |
| C34 | C33 | C38 | C37 | 0.8° | 0.5° |
| C34 | C33 | C38 | H18 | 180.0° | 179.5° |
| C34 | C33 | C38 | C32 | 177.1° | 179.7° |
| C33 | C34 | C35 | H16 | 179.8° | 179.8° |
| O27 | C25 | C23 | H3 | 60.4° | 60.0° |
| C25 | O27 | C28 | H7 | 180.0° | 180.0° |
| C25 | O27 | C28 | H8 | 60.0° | 60.0° |
| C25 | O27 | C28 | H9 | 60.0° | 60.0° |
| C28 | O27 | C25 | O26 | 2.0° | 0.0° |
| O27 | C28 | H7 | H8 | 120.0° | 120.1° |
| O27 | C28 | H7 | H9 | 120.0° | 120.0° |
| O27 | C28 | H8 | H9 | 120.0° | 120.1° |
| O26 | C25 | C23 | H3 | 119.6° | 120.0° |
| O22 | C21 | O23 | N20 | 175.4° | 179.7° |
| O22 | C21 | N20 | C19 | 12.0° | 0.0° |
| O22 | C21 | N20 | H10 | 168.0° | 180.0° |
| C37 | C38 | C33 | C32 | 177.9° | 179.8° |
| C37 | C38 | C32 | C19 | 79.5° | 90.0° |
| C37 | C38 | C32 | H12 | 40.4° | 30.0° |
| C37 | C38 | C32 | H13 | 160.6° | 150.0° |
| C38 | C37 | C36 | H15 | 178.5° | 180.0° |
| C37 | C38 | C33 | H18 | 179.2° | 180.0° |
| O23 | C21 | N20 | C19 | 162.9° | 179.7° |
| C21 | O23 | C22 | H1 | 62.8° | 60.0° |
| C21 | O23 | C22 | H2 | 57.8° | 60.0° |
| O23 | C21 | N20 | H10 | 17.1° | 0.3° |
| C33 | C38 | C32 | C19 | 98.4° | 90.2° |
| C33 | C38 | C32 | H12 | 141.6° | 149.7° |
| C33 | C38 | C32 | H13 | 21.4° | 29.8° |
| C33 | C38 | C37 | H14 | 178.6° | 179.7° |
| C38 | C33 | C34 | H17 | 179.8° | 179.7° |
| C21 | N20 | C19 | H10 | 180.0° | 180.0° |
| C21 | N20 | C19 | C32 | 104.5° | 85.0° |
| C21 | N20 | C19 | C17 | 128.4° | 155.0° |
| C21 | N20 | C19 | H11 | 11.5° | 35.0° |
| C38 | C32 | C19 | N20 | 59.6° | 65.0° |
| C38 | C32 | C19 | H12 | 119.9° | 120.1° |
| C38 | C32 | C19 | H13 | 119.9° | 120.0° |
| C38 | C32 | C19 | C17 | 176.8° | 175.0° |
| C38 | C32 | C19 | H11 | 56.9° | 55.0° |
| C38 | C32 | H12 | H13 | 120.3° | 120.0° |
| C32 | C38 | C37 | H14 | 3.5° | 0.0° |
| C32 | C38 | C33 | H18 | 2.9° | 0.2° |
| O9 | S8 | O10 | N11 | 117.6° | 122.9° |
| O9 | S8 | O10 | C5 | 122.6° | 122.9° |
| O9 | S8 | N11 | C5 | 117.3° | 113.5° |
| O9 | S8 | N11 | C12 | 66.0° | 150.8° |
| O9 | S8 | N11 | C16 | 159.0° | 29.2° |
| O9 | S8 | C5 | C4 | 24.6° | 29.8° |
| O9 | S8 | C5 | C6 | 158.9° | 150.1° |
| N20 | C19 | C32 | C17 | 123.6° | 119.9° |
| N20 | C19 | C32 | H11 | 116.6° | 120.0° |
| N20 | C19 | C17 | H11 | 117.4° | 120.0° |
| N20 | C19 | C17 | C16 | 167.0° | 175.0° |
| N20 | C19 | C17 | O18 | 72.7° | 65.0° |
| N20 | C19 | C32 | H12 | 179.5° | 55.0° |
| N20 | C19 | C32 | H13 | 60.3° | 175.0° |
| N20 | C19 | C17 | H19 | 46.1° | 55.0° |
| C32 | C19 | C17 | H11 | 119.8° | 120.1° |
| C32 | C19 | C17 | C16 | 70.2° | 65.0° |
| C32 | C19 | C17 | O18 | 50.1° | 54.9° |
| C32 | C19 | N20 | H10 | 75.5° | 95.0° |
| C19 | C32 | H12 | H13 | 120.3° | 120.0° |
| C32 | C19 | C17 | H19 | 168.9° | 175.0° |
| C19 | C17 | C16 | N11 | 67.1° | 175.0° |
| C19 | C17 | C16 | O18 | 120.7° | 120.0° |
| C19 | C17 | C16 | H19 | 121.0° | 120.0° |
| C19 | C17 | O18 | H19 | 118.1° | 120.0° |
| C17 | C19 | N20 | H10 | 51.6° | 25.0° |
| C17 | C19 | C32 | H12 | 56.9° | 64.9° |
| C17 | C19 | C32 | H13 | 63.3° | 55.0° |
| C19 | C17 | O18 | H20 | 180.0° | 60.0° |
| C19 | C17 | C16 | H21 | 173.2° | 55.0° |
| C19 | C17 | C16 | H22 | 52.7° | 65.0° |
| O10 | S8 | N11 | C5 | 118.4° | 113.6° |
| O10 | S8 | N11 | C12 | 169.7° | 17.9° |
| O10 | S8 | N11 | C16 | 34.7° | 162.1° |
| O10 | S8 | C5 | C4 | 151.6° | 162.6° |
| O10 | S8 | C5 | C6 | 31.9° | 17.2° |
| C14 | C13 | C12 | N11 | 60.2° | 64.5° |
| C14 | C13 | C12 | C15 | 125.9° | 120.0° |
| C14 | C13 | C12 | H25 | 117.8° | 120.0° |
| C14 | C13 | C15 | H25 | 118.9° | 120.0° |
| C14 | C13 | C15 | C18 | 64.2° | 65.0° |
| C14 | C13 | C12 | H23 | 60.3° | 55.5° |
| C14 | C13 | C12 | H24 | 179.4° | 175.5° |
| C13 | C14 | H26 | H27 | 120.0° | 120.0° |
| C13 | C14 | H26 | H28 | 120.0° | 120.0° |
| C13 | C14 | H27 | H28 | 120.0° | 120.0° |
| C14 | C13 | C15 | H29 | 175.2° | 55.0° |
| C14 | C13 | C15 | H30 | 56.5° | 175.0° |
| S8 | N11 | C12 | C16 | 136.9° | 180.0° |
| S8 | N11 | C16 | C17 | 119.6° | 95.0° |
| N11 | S8 | C5 | C4 | 90.6° | 83.8° |
| N11 | S8 | C5 | C6 | 85.8° | 96.4° |
| S8 | N11 | C12 | C13 | 144.4° | 113.1° |
| S8 | N11 | C16 | H21 | 120.6° | 145.0° |
| S8 | N11 | C16 | H22 | 0.2° | 25.0° |
| S8 | N11 | C12 | H23 | 24.0° | 7.0° |
| S8 | N11 | C12 | H24 | 95.1° | 126.9° |
| C5 | S8 | N11 | C12 | 51.3° | 95.7° |
| C5 | S8 | N11 | C16 | 83.7° | 84.3° |
| S8 | C5 | C4 | C6 | 176.6° | 179.8° |
| S8 | C5 | C4 | C3 | 176.2° | 180.0° |
| S8 | C5 | C6 | C7 | 174.9° | 180.0° |
| S8 | C5 | C4 | H34 | 3.8° | 0.1° |
| S8 | C5 | C6 | H36 | 5.1° | 0.0° |
| C12 | N11 | C16 | C17 | 104.9° | 85.0° |
| N11 | C12 | C13 | H23 | 120.4° | 120.1° |
| N11 | C12 | C13 | H24 | 120.4° | 120.0° |
| N11 | C12 | C13 | C15 | 173.9° | 175.5° |
| C12 | N11 | C16 | H21 | 14.8° | 35.0° |
| C12 | N11 | C16 | H22 | 135.3° | 155.0° |
| N11 | C12 | H23 | H24 | 118.7° | 119.9° |
| N11 | C12 | C13 | H25 | 57.6° | 55.5° |
| N11 | C16 | C17 | H21 | 119.8° | 120.0° |
| N11 | C16 | C17 | H22 | 119.8° | 120.0° |
| N11 | C16 | C17 | O18 | 172.2° | 65.0° |
| C16 | N11 | C12 | C13 | 78.6° | 66.9° |
| N11 | C16 | C17 | H19 | 53.9° | 55.0° |
| N11 | C16 | H21 | H22 | 120.7° | 120.0° |
| C16 | N11 | C12 | H23 | 160.9° | 173.0° |
| C16 | N11 | C12 | H24 | 41.8° | 53.1° |
| C16 | C17 | O18 | H19 | 117.6° | 120.0° |
| C16 | C17 | C19 | H11 | 49.6° | 55.0° |
| C16 | C17 | O18 | H20 | 55.7° | 60.0° |
| C17 | C16 | H21 | H22 | 120.7° | 120.0° |
| O18 | C17 | C19 | H11 | 169.9° | 175.0° |
| O18 | C17 | C16 | H21 | 52.4° | 175.0° |
| O18 | C17 | C16 | H22 | 68.1° | 54.9° |
| C5 | C4 | C3 | H34 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 1.8° | 0.2° |
| C5 | C4 | C3 | C2 | 0.8° | 0.1° |
| C5 | C4 | C3 | H35 | 179.2° | 180.0° |
| C4 | C5 | C6 | H36 | 178.2° | 179.8° |
| C6 | C5 | C4 | C3 | 0.4° | 0.2° |
| C5 | C6 | C7 | H36 | 180.0° | 180.0° |
| C5 | C6 | C7 | C2 | 2.0° | 0.1° |
| C6 | C5 | C4 | H34 | 179.6° | 179.7° |
| C5 | C6 | C7 | H37 | 178.0° | 180.0° |
| C4 | C3 | C2 | H35 | 180.0° | 180.0° |
| C4 | C3 | C2 | C7 | 0.7° | 0.3° |
| C4 | C3 | C2 | O1 | 179.1° | 180.0° |
| C12 | C13 | C15 | H25 | 116.3° | 120.0° |
| C12 | C13 | C15 | C18 | 60.5° | 175.0° |
| C13 | C12 | H23 | H24 | 118.7° | 120.0° |
| C12 | C13 | C14 | H26 | 180.0° | 66.3° |
| C12 | C13 | C14 | H27 | 60.0° | 53.7° |
| C12 | C13 | C14 | H28 | 60.0° | 173.7° |
| C12 | C13 | C15 | H29 | 60.1° | 65.0° |
| C12 | C13 | C15 | H30 | 178.8° | 55.1° |
| C13 | C15 | C18 | H29 | 120.6° | 120.0° |
| C13 | C15 | C18 | H30 | 120.6° | 120.0° |
| C15 | C13 | C12 | H23 | 65.6° | 64.5° |
| C15 | C13 | C12 | H24 | 53.5° | 55.5° |
| C15 | C13 | C14 | H26 | 56.5° | 173.7° |
| C15 | C13 | C14 | H27 | 176.5° | 66.3° |
| C15 | C13 | C14 | H28 | 63.5° | 53.7° |
| C13 | C15 | H29 | H30 | 118.0° | 120.0° |
| C13 | C15 | C18 | H31 | 180.0° | 180.0° |
| C13 | C15 | C18 | H32 | 60.0° | 60.0° |
| C13 | C15 | C18 | H33 | 60.0° | 60.1° |
| C18 | C15 | C13 | H25 | 176.9° | 55.0° |
| C18 | C15 | H29 | H30 | 118.0° | 120.0° |
| C15 | C18 | H31 | H32 | 120.0° | 120.0° |
| C15 | C18 | H31 | H33 | 120.0° | 120.0° |
| C15 | C18 | H32 | H33 | 120.0° | 120.0° |
| C6 | C7 | C2 | C3 | 0.7° | 0.4° |
| C6 | C7 | C2 | H37 | 180.0° | 179.9° |
| C6 | C7 | C2 | O1 | 179.5° | 180.0° |
| C3 | C2 | C7 | O1 | 179.8° | 179.6° |
| C3 | C2 | O1 | C1 | 5.3° | 180.0° |
| C2 | C3 | C4 | H34 | 179.1° | 180.0° |
| C3 | C2 | C7 | H37 | 179.3° | 179.8° |
| C7 | C2 | O1 | C1 | 174.5° | 0.4° |
| C7 | C2 | C3 | H35 | 179.3° | 179.7° |
| C2 | C7 | C6 | H36 | 178.0° | 179.9° |
| O1 | C2 | C3 | H35 | 0.9° | 0.1° |
| O1 | C2 | C7 | H37 | 0.5° | 0.1° |
| C2 | O1 | C1 | H38 | 180.0° | 180.0° |
| C2 | O1 | C1 | H39 | 60.0° | 60.0° |
| C2 | O1 | C1 | H40 | 60.0° | 59.9° |
| O1 | C1 | H38 | H39 | 120.0° | 120.0° |
| O1 | C1 | H38 | H40 | 120.0° | 120.0° |
| O1 | C1 | H39 | H40 | 120.0° | 120.0° |
| H1 | C22 | C23 | H3 | 54.0° | 65.0° |
| H2 | C22 | C23 | H3 | 66.6° | 175.0° |
| H3 | C23 | C24 | H4 | 60.6° | 179.9° |
| H3 | C23 | C24 | H5 | 179.3° | 60.0° |
| H3 | C23 | C24 | H6 | 59.4° | 60.0° |
| H4 | C24 | H5 | H6 | 120.0° | 120.0° |
| H7 | C28 | H8 | H9 | 120.0° | 119.9° |
| H10 | N20 | C19 | H11 | 168.6° | 144.9° |
| H11 | C19 | C32 | H12 | 63.0° | 175.0° |
| H11 | C19 | C32 | H13 | 176.8° | 65.0° |
| H11 | C19 | C17 | H19 | 71.3° | 65.0° |
| H14 | C37 | C36 | H15 | 1.5° | 0.1° |
| H15 | C36 | C35 | H16 | 0.8° | 0.0° |
| H16 | C35 | C34 | H17 | 0.2° | 0.1° |
| H17 | C34 | C33 | H18 | 0.2° | 0.2° |
| H19 | C17 | O18 | H20 | 61.9° | 180.0° |
| H19 | C17 | C16 | H21 | 65.9° | 65.0° |
| H19 | C17 | C16 | H22 | 173.6° | 175.0° |
| H23 | C12 | C13 | H25 | 178.0° | 175.5° |
| H24 | C12 | C13 | H25 | 62.9° | 64.5° |
| H25 | C13 | C14 | H26 | 62.3° | 53.7° |
| H25 | C13 | C14 | H27 | 57.7° | 173.7° |
| H25 | C13 | C14 | H28 | 177.7° | 66.3° |
| H25 | C13 | C15 | H29 | 56.2° | 175.0° |
| H25 | C13 | C15 | H30 | 62.5° | 65.0° |
| H26 | C14 | H27 | H28 | 120.0° | 120.0° |
| H29 | C15 | C18 | H31 | 59.4° | 60.0° |
| H29 | C15 | C18 | H32 | 179.4° | 180.0° |
| H29 | C15 | C18 | H33 | 60.6° | 60.0° |
| H30 | C15 | C18 | H31 | 59.4° | 60.0° |
| H30 | C15 | C18 | H32 | 60.6° | 60.0° |
| H30 | C15 | C18 | H33 | 179.4° | 180.0° |
| H31 | C18 | H32 | H33 | 120.0° | 120.0° |
| H34 | C4 | C3 | H35 | 0.9° | 0.1° |
| H36 | C6 | C7 | H37 | 2.0° | 0.0° |
| H38 | C1 | H39 | H40 | 120.0° | 120.0° |
