M86
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| O1 | C2 | sing | 1.36Å | 1.38Å | |
| C2 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C18 | sing | 1.53Å | 1.50Å | |
| C15 | C13 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| O18 | C17 | sing | 1.43Å | 1.44Å | |
| C6 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | N11 | sing | 1.47Å | 1.48Å | |
| C12 | N11 | sing | 1.46Å | 1.49Å | |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | S8 | sing | 1.76Å | 1.64Å | |
| C17 | C19 | sing | 1.53Å | 1.54Å | |
| N11 | S8 | sing | 1.66Å | 1.63Å | |
| S8 | O10 | doub | 1.42Å | 1.42Å | |
| S8 | O9 | doub | 1.42Å | 1.45Å | |
| C19 | C32 | sing | 1.53Å | 1.54Å | |
| C19 | N20 | sing | 1.47Å | 1.46Å | |
| C32 | C38 | sing | 1.51Å | 1.52Å | |
| N20 | C21 | sing | 1.35Å | 1.32Å | |
| C21 | O23 | sing | 1.35Å | 1.44Å | |
| C21 | O22 | doub | 1.21Å | 1.22Å | |
| C38 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| O23 | C22 | sing | 1.45Å | 1.43Å | |
| C33 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| O29 | C28 | doub | 1.22Å | 1.22Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C34 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | N24 | sing | 1.46Å | 1.48Å | |
| C28 | N24 | sing | 1.34Å | 1.43Å | |
| C28 | N27 | sing | 1.34Å | 1.32Å | |
| C36 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| N24 | C25 | sing | 1.47Å | 1.48Å | |
| N27 | C26 | sing | 1.47Å | 1.45Å | |
| C25 | C26 | sing | 1.54Å | 1.53Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| O18 | H22 | sing | 0.97Å | 0.95Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C32 | H25 | sing | 1.09Å | 1.10Å | |
| C37 | H26 | sing | 1.08Å | 1.08Å | |
| C36 | H27 | sing | 1.08Å | 1.08Å | |
| C35 | H28 | sing | 1.08Å | 1.08Å | |
| C34 | H29 | sing | 1.08Å | 1.08Å | |
| C33 | H30 | sing | 1.08Å | 1.08Å | |
| N20 | H31 | sing | 0.97Å | 1.00Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| N27 | H38 | sing | 0.97Å | 1.00Å | |
| C26 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | C2 | 118.2° | 117.0° |
| O1 | C1 | H5 | 109.5° | 109.5° |
| O1 | C1 | H6 | 109.4° | 109.5° |
| O1 | C1 | H7 | 109.4° | 109.5° |
| O1 | C2 | C7 | 119.0° | 120.0° |
| O1 | C2 | C3 | 121.8° | 120.1° |
| C7 | C2 | C3 | 119.2° | 119.9° |
| C2 | C7 | C6 | 120.9° | 120.0° |
| C2 | C7 | H2 | 119.6° | 120.1° |
| C2 | C3 | C4 | 119.8° | 119.9° |
| C2 | C3 | H4 | 120.1° | 120.0° |
| C7 | C6 | C5 | 120.7° | 120.0° |
| C7 | C6 | H1 | 119.7° | 120.0° |
| C6 | C7 | H2 | 119.6° | 120.0° |
| C18 | C15 | C13 | 113.5° | 109.5° |
| C18 | C15 | H14 | 108.5° | 109.5° |
| C18 | C15 | H15 | 108.4° | 109.4° |
| C15 | C18 | H16 | 109.5° | 109.5° |
| C15 | C18 | H17 | 109.5° | 109.5° |
| C15 | C18 | H18 | 109.5° | 109.4° |
| C15 | C13 | C12 | 110.0° | 109.5° |
| C15 | C13 | C14 | 112.1° | 109.5° |
| C15 | C13 | H10 | 107.1° | 109.5° |
| C13 | C15 | H14 | 108.4° | 109.5° |
| C13 | C15 | H15 | 108.5° | 109.4° |
| C3 | C4 | C5 | 121.8° | 120.1° |
| C3 | C4 | H3 | 119.1° | 119.9° |
| C4 | C3 | H4 | 120.1° | 120.1° |
| O18 | C17 | C16 | 109.3° | 109.5° |
| O18 | C17 | C19 | 108.7° | 109.5° |
| O18 | C17 | H21 | 109.1° | 109.5° |
| C17 | O18 | H22 | 109.5° | 114.0° |
| C6 | C5 | C4 | 117.7° | 120.2° |
| C6 | C5 | S8 | 120.6° | 119.9° |
| C5 | C6 | H1 | 119.6° | 120.0° |
| C12 | C13 | C14 | 113.0° | 109.5° |
| C13 | C12 | N11 | 112.6° | 109.5° |
| C13 | C12 | H8 | 108.7° | 109.5° |
| C13 | C12 | H9 | 108.7° | 109.5° |
| C12 | C13 | H10 | 107.1° | 109.5° |
| C14 | C13 | H10 | 107.2° | 109.4° |
| C13 | C14 | H11 | 109.5° | 109.5° |
| C13 | C14 | H12 | 109.5° | 109.5° |
| C13 | C14 | H13 | 109.5° | 109.5° |
| C17 | C16 | N11 | 107.5° | 109.4° |
| C16 | C17 | C19 | 114.0° | 109.4° |
| C17 | C16 | H19 | 110.0° | 109.5° |
| C17 | C16 | H20 | 110.0° | 109.5° |
| C16 | C17 | H21 | 107.8° | 109.5° |
| C16 | N11 | C12 | 113.4° | 120.0° |
| C16 | N11 | S8 | 114.9° | 120.0° |
| N11 | C16 | H19 | 110.0° | 109.4° |
| N11 | C16 | H20 | 109.9° | 109.5° |
| C12 | N11 | S8 | 112.8° | 120.0° |
| N11 | C12 | H8 | 108.7° | 109.4° |
| N11 | C12 | H9 | 108.7° | 109.5° |
| C4 | C5 | S8 | 121.6° | 119.9° |
| C5 | C4 | H3 | 119.1° | 120.0° |
| C5 | S8 | N11 | 111.0° | 107.2° |
| C5 | S8 | O10 | 110.0° | 106.4° |
| C5 | S8 | O9 | 109.1° | 106.4° |
| C17 | C19 | C32 | 114.6° | 109.5° |
| C17 | C19 | N20 | 109.0° | 109.5° |
| C19 | C17 | H21 | 107.9° | 109.5° |
| C17 | C19 | H23 | 108.1° | 109.4° |
| N11 | S8 | O10 | 108.4° | 106.4° |
| N11 | S8 | O9 | 104.4° | 106.4° |
| O10 | S8 | O9 | 113.9° | 123.2° |
| C32 | C19 | N20 | 107.7° | 109.5° |
| C19 | C32 | C38 | 109.5° | 109.4° |
| C32 | C19 | H23 | 108.1° | 109.5° |
| C19 | C32 | H24 | 109.4° | 109.5° |
| C19 | C32 | H25 | 109.5° | 109.5° |
| C19 | N20 | C21 | 125.4° | 120.0° |
| N20 | C19 | H23 | 109.2° | 109.5° |
| C19 | N20 | H31 | 117.3° | 120.0° |
| C32 | C38 | C33 | 120.6° | 120.0° |
| C32 | C38 | C37 | 120.0° | 120.0° |
| C38 | C32 | H24 | 109.5° | 109.5° |
| C38 | C32 | H25 | 109.5° | 109.5° |
| N20 | C21 | O23 | 113.6° | 120.0° |
| N20 | C21 | O22 | 127.4° | 120.0° |
| C21 | N20 | H31 | 117.3° | 120.1° |
| O23 | C21 | O22 | 118.9° | 120.0° |
| C21 | O23 | C22 | 121.9° | 117.0° |
| C33 | C38 | C37 | 119.4° | 120.0° |
| C38 | C33 | C34 | 120.4° | 120.0° |
| C38 | C33 | H30 | 119.8° | 120.0° |
| C38 | C37 | C36 | 120.0° | 120.0° |
| C38 | C37 | H26 | 120.0° | 120.0° |
| O23 | C22 | C23 | 107.2° | 109.5° |
| O23 | C22 | H32 | 110.0° | 109.5° |
| O23 | C22 | H33 | 110.0° | 109.5° |
| C33 | C34 | C35 | 120.2° | 120.0° |
| C33 | C34 | H29 | 119.9° | 120.1° |
| C34 | C33 | H30 | 119.8° | 119.9° |
| C37 | C36 | C35 | 120.5° | 120.0° |
| C36 | C37 | H26 | 120.0° | 120.0° |
| C37 | C36 | H27 | 119.8° | 120.0° |
| O29 | C28 | N24 | 125.9° | 123.1° |
| O29 | C28 | N27 | 124.4° | 123.1° |
| C22 | C23 | N24 | 108.0° | 109.5° |
| C23 | C22 | H32 | 110.0° | 109.4° |
| C23 | C22 | H33 | 110.0° | 109.5° |
| C22 | C23 | H34 | 109.8° | 109.5° |
| C22 | C23 | H35 | 109.8° | 109.5° |
| C34 | C35 | C36 | 119.5° | 120.0° |
| C34 | C35 | H28 | 120.2° | 120.0° |
| C35 | C34 | H29 | 119.9° | 120.0° |
| C23 | N24 | C28 | 121.6° | 125.4° |
| C23 | N24 | C25 | 115.4° | 125.4° |
| N24 | C23 | H34 | 109.8° | 109.5° |
| N24 | C23 | H35 | 109.8° | 109.5° |
| N24 | C28 | N27 | 109.7° | 113.9° |
| C28 | N24 | C25 | 104.4° | 109.2° |
| C28 | N27 | C26 | 111.5° | 109.2° |
| C28 | N27 | H38 | 124.2° | 125.3° |
| C35 | C36 | H27 | 119.8° | 120.0° |
| C36 | C35 | H28 | 120.2° | 120.0° |
| N24 | C25 | C26 | 102.0° | 103.9° |
| N24 | C25 | H36 | 111.3° | 110.6° |
| N24 | C25 | H37 | 111.3° | 110.6° |
| N27 | C26 | C25 | 102.4° | 103.8° |
| C26 | N27 | H38 | 124.2° | 125.4° |
| N27 | C26 | H39 | 111.2° | 110.7° |
| N27 | C26 | H40 | 111.2° | 110.4° |
| C26 | C25 | H36 | 111.3° | 110.6° |
| C26 | C25 | H37 | 111.3° | 110.5° |
| C25 | C26 | H39 | 111.2° | 110.5° |
| C25 | C26 | H40 | 111.2° | 110.6° |
| H5 | C1 | H6 | 109.5° | 109.4° |
| H5 | C1 | H7 | 109.5° | 109.4° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H8 | C12 | H9 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H11 | C14 | H13 | 109.4° | 109.4° |
| H12 | C14 | H13 | 109.5° | 109.4° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H16 | C18 | H17 | 109.5° | 109.5° |
| H16 | C18 | H18 | 109.4° | 109.5° |
| H17 | C18 | H18 | 109.5° | 109.5° |
| H19 | C16 | H20 | 109.5° | 109.5° |
| H24 | C32 | H25 | 109.5° | 109.5° |
| H32 | C22 | H33 | 109.5° | 109.4° |
| H34 | C23 | H35 | 109.5° | 109.4° |
| H36 | C25 | H37 | 109.4° | 110.6° |
| H39 | C26 | H40 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O1 | C2 | C7 | 171.3° | 180.0° |
| C1 | O1 | C2 | C3 | 7.5° | 0.3° |
| O1 | C1 | H5 | H6 | 120.0° | 120.0° |
| O1 | C1 | H5 | H7 | 120.0° | 120.0° |
| O1 | C1 | H6 | H7 | 120.0° | 120.0° |
| O1 | C2 | C7 | C3 | 178.8° | 179.7° |
| O1 | C2 | C7 | C6 | 178.8° | 180.0° |
| O1 | C2 | C3 | C4 | 178.9° | 180.0° |
| O1 | C2 | C7 | H2 | 1.2° | 0.1° |
| O1 | C2 | C3 | H4 | 1.1° | 0.0° |
| C2 | O1 | C1 | H5 | 180.0° | 180.0° |
| C2 | O1 | C1 | H6 | 60.0° | 60.0° |
| C2 | O1 | C1 | H7 | 60.0° | 60.0° |
| C2 | C7 | C6 | H2 | 180.0° | 179.9° |
| C7 | C2 | C3 | C4 | 0.1° | 0.3° |
| C2 | C7 | C6 | C5 | 0.0° | 0.0° |
| C2 | C7 | C6 | H1 | 180.0° | 180.0° |
| C7 | C2 | C3 | H4 | 179.9° | 179.7° |
| C3 | C2 | C7 | C6 | 0.0° | 0.3° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C3 | C2 | C7 | H2 | 180.0° | 179.8° |
| C2 | C3 | C4 | H3 | 179.7° | 179.9° |
| C7 | C6 | C5 | H1 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 0.1° | 0.3° |
| C7 | C6 | C5 | S8 | 177.6° | 180.0° |
| C18 | C15 | C13 | H14 | 120.6° | 120.0° |
| C18 | C15 | C13 | H15 | 120.6° | 119.9° |
| C18 | C15 | C13 | C12 | 60.3° | 175.0° |
| C18 | C15 | C13 | C14 | 66.3° | 65.0° |
| C18 | C15 | C13 | H10 | 176.4° | 55.0° |
| C18 | C15 | H14 | H15 | 118.2° | 120.0° |
| C15 | C18 | H16 | H17 | 120.0° | 120.0° |
| C15 | C18 | H16 | H18 | 120.0° | 120.0° |
| C15 | C18 | H17 | H18 | 120.0° | 120.0° |
| C15 | C13 | C12 | C14 | 126.1° | 120.0° |
| C15 | C13 | C12 | H10 | 116.1° | 120.0° |
| C15 | C13 | C14 | H10 | 117.2° | 120.0° |
| C15 | C13 | C12 | N11 | 172.9° | 174.7° |
| C15 | C13 | C12 | H8 | 52.5° | 65.3° |
| C15 | C13 | C12 | H9 | 66.6° | 54.7° |
| C15 | C13 | C14 | H11 | 180.0° | 53.0° |
| C15 | C13 | C14 | H12 | 60.0° | 173.1° |
| C15 | C13 | C14 | H13 | 60.0° | 67.0° |
| C13 | C15 | H14 | H15 | 118.2° | 120.0° |
| C13 | C15 | C18 | H16 | 180.0° | 180.0° |
| C13 | C15 | C18 | H17 | 60.0° | 60.0° |
| C13 | C15 | C18 | H18 | 60.0° | 60.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.3° |
| C3 | C4 | C5 | H3 | 180.0° | 179.9° |
| C3 | C4 | C5 | S8 | 177.4° | 180.0° |
| O18 | C17 | C16 | C19 | 121.8° | 120.0° |
| O18 | C17 | C16 | H21 | 118.5° | 120.0° |
| O18 | C17 | C16 | N11 | 170.4° | 65.0° |
| O18 | C17 | C19 | H21 | 118.1° | 120.0° |
| O18 | C17 | C19 | C32 | 52.5° | 55.0° |
| O18 | C17 | C19 | N20 | 68.3° | 65.0° |
| O18 | C17 | C16 | H19 | 69.9° | 54.9° |
| O18 | C17 | C16 | H20 | 50.8° | 175.0° |
| O18 | C17 | C19 | H23 | 173.2° | 175.0° |
| C6 | C5 | C4 | S8 | 177.7° | 179.7° |
| C6 | C5 | S8 | N11 | 86.0° | 90.0° |
| C6 | C5 | S8 | O10 | 33.9° | 156.4° |
| C6 | C5 | S8 | O9 | 159.5° | 23.5° |
| C5 | C6 | C7 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | H3 | 179.7° | 179.8° |
| C12 | C13 | C14 | H10 | 117.8° | 120.0° |
| C13 | C12 | N11 | C16 | 80.8° | 86.6° |
| C13 | C12 | N11 | H8 | 120.5° | 120.0° |
| C13 | C12 | N11 | H9 | 120.5° | 120.1° |
| C13 | C12 | N11 | S8 | 146.3° | 93.3° |
| C13 | C12 | H8 | H9 | 118.6° | 120.0° |
| C12 | C13 | C14 | H11 | 55.0° | 173.0° |
| C12 | C13 | C14 | H12 | 65.0° | 66.9° |
| C12 | C13 | C14 | H13 | 175.0° | 53.1° |
| C12 | C13 | C15 | H14 | 179.1° | 65.0° |
| C12 | C13 | C15 | H15 | 60.3° | 55.0° |
| C14 | C13 | C12 | N11 | 61.0° | 65.3° |
| C14 | C13 | C12 | H8 | 178.5° | 54.7° |
| C14 | C13 | C12 | H9 | 59.5° | 174.7° |
| C13 | C14 | H11 | H12 | 120.1° | 120.1° |
| C13 | C14 | H11 | H13 | 120.0° | 120.0° |
| C13 | C14 | H12 | H13 | 120.0° | 120.0° |
| C14 | C13 | C15 | H14 | 54.3° | 55.0° |
| C14 | C13 | C15 | H15 | 173.1° | 175.0° |
| C17 | C16 | N11 | H19 | 119.7° | 120.0° |
| C17 | C16 | N11 | H20 | 119.7° | 120.0° |
| C17 | C16 | N11 | C12 | 107.0° | 86.0° |
| C16 | C17 | C19 | H21 | 119.7° | 120.0° |
| C17 | C16 | N11 | S8 | 121.1° | 94.1° |
| C16 | C17 | C19 | C32 | 69.7° | 65.0° |
| C16 | C17 | C19 | N20 | 169.6° | 175.0° |
| C17 | C16 | H19 | H20 | 120.9° | 120.1° |
| C16 | C17 | O18 | H22 | 180.0° | 60.0° |
| C16 | C17 | C19 | H23 | 51.0° | 55.0° |
| C16 | N11 | C12 | S8 | 132.9° | 179.9° |
| C16 | N11 | S8 | C5 | 82.6° | 90.0° |
| N11 | C16 | C17 | C19 | 67.8° | 175.0° |
| C16 | N11 | S8 | O10 | 38.3° | 156.4° |
| C16 | N11 | S8 | O9 | 160.0° | 23.5° |
| C16 | N11 | C12 | H8 | 39.7° | 33.4° |
| C16 | N11 | C12 | H9 | 158.7° | 153.4° |
| N11 | C16 | H19 | H20 | 120.9° | 120.0° |
| N11 | C16 | C17 | H21 | 52.0° | 55.0° |
| C12 | N11 | S8 | C5 | 49.5° | 90.1° |
| C12 | N11 | S8 | O10 | 170.4° | 23.5° |
| C12 | N11 | S8 | O9 | 67.8° | 156.4° |
| N11 | C12 | H8 | H9 | 118.5° | 120.0° |
| N11 | C12 | C13 | H10 | 56.9° | 54.7° |
| C12 | N11 | C16 | H19 | 133.3° | 34.0° |
| C12 | N11 | C16 | H20 | 12.7° | 154.1° |
| C4 | C5 | S8 | N11 | 91.6° | 90.3° |
| C4 | C5 | S8 | O10 | 148.5° | 23.2° |
| C4 | C5 | S8 | O9 | 22.9° | 156.2° |
| C4 | C5 | C6 | H1 | 179.9° | 179.7° |
| C5 | C4 | C3 | H4 | 179.7° | 180.0° |
| C5 | S8 | N11 | O10 | 120.9° | 113.6° |
| C5 | S8 | N11 | O9 | 117.4° | 113.5° |
| C5 | S8 | O10 | O9 | 122.8° | 123.0° |
| S8 | C5 | C6 | H1 | 2.4° | 0.1° |
| S8 | C5 | C4 | H3 | 2.6° | 0.1° |
| C17 | C19 | C32 | N20 | 121.5° | 120.0° |
| C17 | C19 | C32 | H23 | 120.7° | 120.0° |
| C17 | C19 | N20 | H23 | 117.9° | 120.0° |
| C17 | C19 | C32 | C38 | 177.7° | 175.0° |
| C17 | C19 | N20 | C21 | 108.0° | 155.0° |
| C19 | C17 | C16 | H19 | 51.9° | 65.0° |
| C19 | C17 | C16 | H20 | 172.6° | 55.0° |
| C19 | C17 | O18 | H22 | 55.0° | 60.0° |
| C17 | C19 | C32 | H24 | 62.3° | 65.0° |
| C17 | C19 | C32 | H25 | 57.7° | 55.0° |
| C17 | C19 | N20 | H31 | 71.9° | 25.0° |
| N11 | S8 | O10 | O9 | 115.7° | 122.9° |
| S8 | N11 | C12 | H8 | 93.2° | 146.7° |
| S8 | N11 | C12 | H9 | 25.9° | 26.7° |
| S8 | N11 | C16 | H19 | 1.4° | 145.9° |
| S8 | N11 | C16 | H20 | 119.2° | 25.8° |
| C32 | C19 | N20 | H23 | 117.2° | 120.0° |
| C19 | C32 | C38 | H24 | 120.0° | 120.0° |
| C19 | C32 | C38 | H25 | 120.0° | 120.0° |
| C32 | C19 | N20 | C21 | 127.1° | 85.0° |
| C19 | C32 | C38 | C33 | 101.5° | 90.0° |
| C19 | C32 | C38 | C37 | 78.2° | 89.8° |
| C32 | C19 | C17 | H21 | 170.6° | 175.0° |
| C19 | C32 | H24 | H25 | 120.0° | 120.0° |
| C32 | C19 | N20 | H31 | 53.0° | 95.0° |
| N20 | C19 | C32 | C38 | 60.8° | 65.0° |
| C19 | N20 | C21 | H31 | 180.0° | 180.0° |
| C19 | N20 | C21 | O23 | 174.1° | 180.0° |
| C19 | N20 | C21 | O22 | 4.4° | 0.0° |
| N20 | C19 | C17 | H21 | 49.9° | 55.0° |
| N20 | C19 | C32 | H24 | 59.2° | 55.0° |
| N20 | C19 | C32 | H25 | 179.2° | 175.0° |
| C32 | C38 | C33 | C37 | 179.8° | 179.8° |
| C32 | C38 | C33 | C34 | 179.4° | 179.7° |
| C32 | C38 | C37 | C36 | 179.8° | 180.0° |
| C38 | C32 | C19 | H23 | 57.0° | 55.0° |
| C38 | C32 | H24 | H25 | 120.0° | 120.0° |
| C32 | C38 | C37 | H26 | 0.2° | 0.0° |
| C32 | C38 | C33 | H30 | 0.6° | 0.0° |
| N20 | C21 | O23 | O22 | 178.7° | 180.0° |
| N20 | C21 | O23 | C22 | 176.6° | 180.0° |
| C21 | N20 | C19 | H23 | 9.9° | 35.0° |
| C21 | O23 | C22 | C23 | 157.0° | 180.0° |
| O23 | C21 | N20 | H31 | 5.9° | 0.0° |
| C21 | O23 | C22 | H32 | 37.3° | 60.0° |
| C21 | O23 | C22 | H33 | 83.4° | 59.9° |
| O22 | C21 | O23 | C22 | 2.1° | 0.0° |
| O22 | C21 | N20 | H31 | 175.6° | 180.0° |
| C38 | C33 | C34 | H30 | 180.0° | 179.7° |
| C33 | C38 | C37 | C36 | 0.0° | 0.3° |
| C38 | C33 | C34 | C35 | 0.5° | 0.5° |
| C33 | C38 | C32 | H24 | 18.5° | 30.0° |
| C33 | C38 | C32 | H25 | 138.4° | 150.0° |
| C33 | C38 | C37 | H26 | 180.0° | 179.8° |
| C38 | C33 | C34 | H29 | 179.5° | 179.7° |
| C37 | C38 | C33 | C34 | 0.4° | 0.5° |
| C38 | C37 | C36 | H26 | 180.0° | 180.0° |
| C38 | C37 | C36 | C35 | 0.3° | 0.0° |
| C37 | C38 | C32 | H24 | 161.8° | 150.3° |
| C37 | C38 | C32 | H25 | 41.8° | 30.2° |
| C38 | C37 | C36 | H27 | 179.7° | 180.0° |
| C37 | C38 | C33 | H30 | 179.6° | 179.8° |
| O23 | C22 | C23 | H32 | 119.6° | 120.0° |
| O23 | C22 | C23 | H33 | 119.6° | 120.1° |
| O23 | C22 | C23 | N24 | 67.6° | 65.0° |
| O23 | C22 | H32 | H33 | 121.0° | 120.0° |
| O23 | C22 | C23 | H34 | 172.6° | 175.0° |
| O23 | C22 | C23 | H35 | 52.2° | 55.1° |
| C33 | C34 | C35 | H29 | 180.0° | 179.8° |
| C33 | C34 | C35 | C36 | 0.3° | 0.3° |
| C33 | C34 | C35 | H28 | 179.7° | 179.8° |
| C37 | C36 | C35 | C34 | 0.1° | 0.0° |
| C37 | C36 | C35 | H27 | 180.0° | 180.0° |
| C37 | C36 | C35 | H28 | 179.9° | 180.0° |
| O29 | C28 | N24 | C23 | 22.0° | 0.1° |
| O29 | C28 | N24 | N27 | 179.8° | 180.0° |
| O29 | C28 | N24 | C25 | 154.6° | 179.8° |
| O29 | C28 | N27 | C26 | 172.3° | 179.9° |
| O29 | C28 | N27 | H38 | 7.7° | 0.0° |
| C22 | C23 | N24 | H34 | 119.8° | 120.0° |
| C22 | C23 | N24 | H35 | 119.8° | 120.0° |
| C22 | C23 | N24 | C28 | 114.2° | 90.2° |
| C22 | C23 | N24 | C25 | 117.9° | 90.0° |
| C23 | C22 | H32 | H33 | 121.0° | 120.0° |
| C22 | C23 | H34 | H35 | 120.7° | 120.0° |
| C34 | C35 | C36 | H28 | 180.0° | 180.0° |
| C34 | C35 | C36 | H27 | 179.9° | 180.0° |
| C35 | C34 | C33 | H30 | 179.5° | 179.8° |
| C23 | N24 | C28 | C25 | 132.6° | 179.8° |
| C23 | N24 | C28 | N27 | 157.9° | 180.0° |
| C23 | N24 | C25 | C26 | 167.3° | 180.0° |
| N24 | C23 | C22 | H32 | 52.0° | 55.0° |
| N24 | C23 | C22 | H33 | 172.8° | 174.9° |
| N24 | C23 | H34 | H35 | 120.7° | 120.0° |
| C23 | N24 | C25 | H36 | 73.9° | 61.3° |
| C23 | N24 | C25 | H37 | 48.5° | 61.5° |
| N24 | C28 | N27 | C26 | 7.5° | 0.1° |
| C28 | N24 | C25 | C26 | 31.3° | 0.2° |
| C28 | N24 | C23 | H34 | 126.0° | 149.7° |
| C28 | N24 | C23 | H35 | 5.6° | 29.8° |
| C28 | N24 | C25 | H36 | 150.1° | 118.8° |
| C28 | N24 | C25 | H37 | 87.6° | 118.3° |
| N24 | C28 | N27 | H38 | 172.5° | 180.0° |
| N27 | C28 | N24 | C25 | 25.3° | 0.2° |
| C28 | N27 | C26 | H38 | 180.0° | 179.9° |
| C28 | N27 | C26 | C25 | 12.7° | 0.0° |
| C28 | N27 | C26 | H39 | 131.5° | 118.6° |
| C28 | N27 | C26 | H40 | 106.2° | 118.6° |
| C35 | C36 | C37 | H26 | 179.8° | 180.0° |
| C36 | C35 | C34 | H29 | 179.7° | 180.0° |
| N24 | C25 | C26 | N27 | 26.5° | 0.1° |
| N24 | C25 | C26 | H36 | 118.8° | 118.6° |
| N24 | C25 | C26 | H37 | 118.8° | 118.6° |
| C25 | N24 | C23 | H34 | 1.9° | 30.1° |
| C25 | N24 | C23 | H35 | 122.3° | 150.0° |
| N24 | C25 | H36 | H37 | 123.5° | 122.8° |
| N24 | C25 | C26 | H39 | 145.4° | 118.6° |
| N24 | C25 | C26 | H40 | 92.3° | 118.6° |
| N27 | C26 | C25 | H39 | 118.9° | 118.7° |
| N27 | C26 | C25 | H40 | 118.8° | 118.4° |
| N27 | C26 | C25 | H36 | 145.3° | 118.8° |
| N27 | C26 | C25 | H37 | 92.2° | 118.4° |
| N27 | C26 | H39 | H40 | 123.3° | 122.8° |
| C26 | C25 | H36 | H37 | 123.5° | 122.7° |
| C25 | C26 | N27 | H38 | 167.3° | 179.8° |
| C25 | C26 | H39 | H40 | 123.3° | 122.8° |
| H1 | C6 | C7 | H2 | 0.0° | 0.0° |
| H3 | C4 | C3 | H4 | 0.3° | 0.0° |
| H5 | C1 | H6 | H7 | 120.0° | 119.9° |
| H8 | C12 | C13 | H10 | 63.6° | 174.6° |
| H9 | C12 | C13 | H10 | 177.3° | 65.4° |
| H10 | C13 | C14 | H11 | 62.8° | 67.0° |
| H10 | C13 | C14 | H12 | 177.2° | 53.1° |
| H10 | C13 | C14 | H13 | 57.2° | 173.0° |
| H10 | C13 | C15 | H14 | 63.0° | 175.0° |
| H10 | C13 | C15 | H15 | 55.8° | 65.0° |
| H11 | C14 | H12 | H13 | 119.9° | 119.9° |
| H14 | C15 | C18 | H16 | 59.4° | 60.0° |
| H14 | C15 | C18 | H17 | 60.6° | NaN° |
| H14 | C15 | C18 | H18 | 179.4° | 60.0° |
| H15 | C15 | C18 | H16 | 59.4° | 60.1° |
| H15 | C15 | C18 | H17 | 179.4° | 59.9° |
| H15 | C15 | C18 | H18 | 60.6° | 179.9° |
| H16 | C18 | H17 | H18 | 120.0° | 120.0° |
| H19 | C16 | C17 | H21 | 171.6° | 175.0° |
| H20 | C16 | C17 | H21 | 67.7° | 64.9° |
| H21 | C17 | O18 | H22 | 62.3° | 180.0° |
| H21 | C17 | C19 | H23 | 68.7° | 65.0° |
| H23 | C19 | C32 | H24 | 177.0° | 175.0° |
| H23 | C19 | C32 | H25 | 63.0° | 64.9° |
| H23 | C19 | N20 | H31 | 170.2° | 145.0° |
| H26 | C37 | C36 | H27 | 0.3° | 0.0° |
| H27 | C36 | C35 | H28 | 0.1° | 0.0° |
| H28 | C35 | C34 | H29 | 0.3° | 0.0° |
| H29 | C34 | C33 | H30 | 0.5° | 0.0° |
| H32 | C22 | C23 | H34 | 67.7° | 65.0° |
| H32 | C22 | C23 | H35 | 171.8° | 175.0° |
| H33 | C22 | C23 | H34 | 53.0° | 54.9° |
| H33 | C22 | C23 | H35 | 67.4° | 65.0° |
| H36 | C25 | C26 | H39 | 95.8° | 0.0° |
| H36 | C25 | C26 | H40 | 26.5° | 122.8° |
| H37 | C25 | C26 | H39 | 26.6° | 122.8° |
| H37 | C25 | C26 | H40 | 148.9° | 0.0° |
| H38 | N27 | C26 | H39 | 48.5° | 61.6° |
| H38 | N27 | C26 | H40 | 73.8° | 61.3° |
