8HD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C66 | O67 | sing | 1.35Å | 1.40Å | Aromatic |
| C66 | C65 | doub | 1.34Å | 1.33Å | Aromatic |
| O67 | C63 | sing | 1.34Å | 1.36Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C68 | C65 | sing | 1.51Å | 1.37Å | |
| C36 | C37 | sing | 1.38Å | 1.42Å | Aromatic |
| C65 | N64 | sing | 1.35Å | 1.34Å | Aromatic |
| C39 | C2 | sing | 1.51Å | 1.55Å | |
| C39 | O40 | sing | 1.43Å | 1.46Å | |
| C34 | C33 | doub | 1.38Å | 1.43Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C63 | N64 | doub | 1.30Å | 1.33Å | Aromatic |
| C63 | C62 | sing | 1.51Å | 1.51Å | |
| C33 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C38 | C32 | sing | 1.51Å | 1.52Å | |
| O9 | S8 | doub | 1.42Å | 1.47Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | S8 | sing | 1.76Å | 1.76Å | |
| C62 | N60 | sing | 1.47Å | 1.49Å | |
| C32 | C19 | sing | 1.53Å | 1.54Å | |
| S8 | O10 | doub | 1.42Å | 1.47Å | |
| S8 | N11 | sing | 1.66Å | 1.64Å | |
| C61 | N60 | sing | 1.47Å | 1.47Å | |
| N60 | C58 | sing | 1.35Å | 1.31Å | |
| C19 | N20 | sing | 1.47Å | 1.48Å | |
| C19 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | N11 | sing | 1.47Å | 1.45Å | |
| C16 | C17 | sing | 1.53Å | 1.56Å | |
| N11 | C12 | sing | 1.46Å | 1.46Å | |
| C58 | O59 | doub | 1.22Å | 1.22Å | |
| C58 | C55 | sing | 1.48Å | 1.51Å | |
| N20 | C21 | sing | 1.35Å | 1.36Å | |
| C56 | C55 | doub | 1.39Å | 1.39Å | Aromatic |
| C56 | C51 | sing | 1.39Å | 1.41Å | Aromatic |
| C17 | O18 | sing | 1.43Å | 1.46Å | |
| C21 | O22 | doub | 1.22Å | 1.17Å | |
| C21 | C51 | sing | 1.48Å | 1.54Å | |
| C55 | C54 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| C51 | C52 | doub | 1.40Å | 1.39Å | Aromatic |
| C54 | C53 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.55Å | |
| C52 | C53 | sing | 1.38Å | 1.42Å | Aromatic |
| C39 | H1 | sing | 1.09Å | 1.10Å | |
| C39 | H2 | sing | 1.09Å | 1.10Å | |
| O40 | H3 | sing | 0.97Å | 0.95Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| O18 | H20 | sing | 0.97Å | 0.95Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| N20 | H22 | sing | 0.97Å | 1.00Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.08Å | 1.08Å | |
| C34 | H26 | sing | 1.08Å | 1.08Å | |
| C35 | H27 | sing | 1.08Å | 1.08Å | |
| C36 | H28 | sing | 1.08Å | 1.08Å | |
| C37 | H29 | sing | 1.08Å | 1.08Å | |
| C52 | H30 | sing | 1.08Å | 1.08Å | |
| C53 | H31 | sing | 1.08Å | 1.08Å | |
| C54 | H32 | sing | 1.08Å | 1.08Å | |
| C56 | H33 | sing | 1.08Å | 1.08Å | |
| C61 | H34 | sing | 1.09Å | 1.10Å | |
| C61 | H35 | sing | 1.09Å | 1.10Å | |
| C61 | H36 | sing | 1.09Å | 1.10Å | |
| C62 | H37 | sing | 1.09Å | 1.10Å | |
| C62 | H38 | sing | 1.09Å | 1.10Å | |
| C66 | H41 | sing | 1.08Å | 1.08Å | |
| C68 | H43 | sing | 1.09Å | 1.10Å | |
| C68 | H44 | sing | 1.09Å | 1.10Å | |
| C68 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O67 | C66 | C65 | 105.3° | 107.1° |
| C66 | O67 | C63 | 104.8° | 107.7° |
| O67 | C66 | H41 | 127.4° | 126.4° |
| C66 | C65 | C68 | 128.4° | 126.2° |
| C66 | C65 | N64 | 109.2° | 107.7° |
| C65 | C66 | H41 | 127.3° | 126.4° |
| O67 | C63 | N64 | 107.7° | 108.8° |
| O67 | C63 | C62 | 125.8° | 125.6° |
| C36 | C35 | C34 | 118.0° | 120.0° |
| C35 | C36 | C37 | 120.8° | 120.0° |
| C36 | C35 | H27 | 121.0° | 120.0° |
| C35 | C36 | H28 | 119.6° | 120.0° |
| C35 | C34 | C33 | 122.0° | 120.0° |
| C35 | C34 | H26 | 119.0° | 120.0° |
| C34 | C35 | H27 | 121.0° | 120.0° |
| C68 | C65 | N64 | 118.8° | 126.1° |
| C65 | C68 | H43 | 109.5° | 109.4° |
| C65 | C68 | H44 | 109.5° | 109.5° |
| C65 | C68 | H39 | 109.5° | 109.5° |
| C36 | C37 | C38 | 120.2° | 120.0° |
| C37 | C36 | H28 | 119.6° | 120.1° |
| C36 | C37 | H29 | 119.9° | 119.9° |
| C65 | N64 | C63 | 107.9° | 108.7° |
| C2 | C39 | O40 | 104.3° | 109.5° |
| C39 | C2 | C7 | 117.9° | 120.0° |
| C39 | C2 | C3 | 122.3° | 120.0° |
| C2 | C39 | H1 | 110.7° | 109.5° |
| C2 | C39 | H2 | 110.7° | 109.5° |
| O40 | C39 | H1 | 110.8° | 109.4° |
| O40 | C39 | H2 | 110.7° | 109.5° |
| C39 | O40 | H3 | 109.5° | 114.0° |
| C34 | C33 | C38 | 118.3° | 120.0° |
| C34 | C33 | H25 | 120.8° | 120.0° |
| C33 | C34 | H26 | 119.0° | 120.0° |
| C37 | C38 | C33 | 120.4° | 120.0° |
| C37 | C38 | C32 | 122.4° | 120.0° |
| C38 | C37 | H29 | 119.9° | 120.0° |
| C2 | C7 | C6 | 122.1° | 120.0° |
| C7 | C2 | C3 | 119.8° | 120.0° |
| C2 | C7 | H7 | 119.0° | 120.0° |
| C7 | C6 | C5 | 118.7° | 120.0° |
| C7 | C6 | H6 | 120.7° | 119.9° |
| C6 | C7 | H7 | 118.9° | 120.0° |
| C2 | C3 | C4 | 118.3° | 120.0° |
| C2 | C3 | H4 | 120.9° | 120.0° |
| N64 | C63 | C62 | 124.2° | 125.6° |
| C63 | C62 | N60 | 108.9° | 109.4° |
| C63 | C62 | H37 | 109.6° | 109.5° |
| C63 | C62 | H38 | 109.6° | 109.5° |
| C33 | C38 | C32 | 117.2° | 120.0° |
| C38 | C33 | H25 | 120.8° | 120.0° |
| C6 | C5 | C4 | 120.7° | 120.0° |
| C6 | C5 | S8 | 120.2° | 120.0° |
| C5 | C6 | H6 | 120.7° | 120.1° |
| C38 | C32 | C19 | 108.0° | 109.5° |
| C38 | C32 | H23 | 109.8° | 109.4° |
| C38 | C32 | H24 | 109.8° | 109.4° |
| O9 | S8 | C5 | 107.9° | 106.4° |
| O9 | S8 | O10 | 120.1° | 123.2° |
| O9 | S8 | N11 | 105.7° | 106.4° |
| C3 | C4 | C5 | 120.3° | 120.0° |
| C4 | C3 | H4 | 120.8° | 120.0° |
| C3 | C4 | H5 | 119.8° | 120.0° |
| C4 | C5 | S8 | 119.0° | 120.0° |
| C5 | C4 | H5 | 119.9° | 120.0° |
| C5 | S8 | O10 | 106.5° | 106.4° |
| C5 | S8 | N11 | 107.8° | 107.2° |
| C62 | N60 | C61 | 118.2° | 120.0° |
| C62 | N60 | C58 | 118.6° | 120.0° |
| N60 | C62 | H37 | 109.6° | 109.5° |
| N60 | C62 | H38 | 109.6° | 109.4° |
| C32 | C19 | N20 | 106.3° | 109.5° |
| C32 | C19 | C17 | 114.0° | 109.5° |
| C32 | C19 | H21 | 109.2° | 109.5° |
| C19 | C32 | H23 | 109.9° | 109.5° |
| C19 | C32 | H24 | 109.9° | 109.5° |
| O10 | S8 | N11 | 108.4° | 106.4° |
| S8 | N11 | C16 | 116.9° | 120.0° |
| S8 | N11 | C12 | 113.7° | 120.0° |
| C61 | N60 | C58 | 123.1° | 120.0° |
| N60 | C61 | H34 | 109.5° | 109.5° |
| N60 | C61 | H35 | 109.5° | 109.4° |
| N60 | C61 | H36 | 109.5° | 109.4° |
| N60 | C58 | O59 | 126.1° | 120.0° |
| N60 | C58 | C55 | 118.6° | 120.0° |
| N20 | C19 | C17 | 108.3° | 109.5° |
| C19 | N20 | C21 | 120.5° | 120.0° |
| N20 | C19 | H21 | 109.9° | 109.4° |
| C19 | N20 | H22 | 119.8° | 120.0° |
| C19 | C17 | C16 | 110.0° | 109.5° |
| C19 | C17 | O18 | 110.2° | 109.5° |
| C19 | C17 | H19 | 109.3° | 109.4° |
| C17 | C19 | H21 | 109.1° | 109.5° |
| N11 | C16 | C17 | 109.8° | 109.5° |
| C16 | N11 | C12 | 121.8° | 120.0° |
| N11 | C16 | H17 | 109.4° | 109.5° |
| N11 | C16 | H18 | 109.4° | 109.4° |
| C16 | C17 | O18 | 107.9° | 109.5° |
| C17 | C16 | H17 | 109.4° | 109.5° |
| C17 | C16 | H18 | 109.4° | 109.4° |
| C16 | C17 | H19 | 109.1° | 109.5° |
| N11 | C12 | C13 | 113.1° | 109.5° |
| N11 | C12 | H8 | 108.6° | 109.5° |
| N11 | C12 | H9 | 108.5° | 109.4° |
| O59 | C58 | C55 | 115.2° | 120.0° |
| C58 | C55 | C56 | 116.7° | 120.0° |
| C58 | C55 | C54 | 121.8° | 120.1° |
| N20 | C21 | O22 | 128.3° | 120.0° |
| N20 | C21 | C51 | 113.8° | 120.0° |
| C21 | N20 | H22 | 119.7° | 120.0° |
| C55 | C56 | C51 | 119.1° | 119.7° |
| C56 | C55 | C54 | 120.9° | 119.9° |
| C55 | C56 | H33 | 120.4° | 120.1° |
| C56 | C51 | C21 | 118.8° | 120.1° |
| C56 | C51 | C52 | 119.8° | 119.9° |
| C51 | C56 | H33 | 120.4° | 120.2° |
| O18 | C17 | H19 | 110.4° | 109.5° |
| C17 | O18 | H20 | 109.5° | 114.0° |
| O22 | C21 | C51 | 117.9° | 120.0° |
| C21 | C51 | C52 | 121.2° | 120.0° |
| C55 | C54 | C53 | 119.9° | 120.1° |
| C55 | C54 | H32 | 120.1° | 120.0° |
| C12 | C13 | C14 | 112.5° | 109.5° |
| C12 | C13 | C15 | 105.7° | 109.4° |
| C13 | C12 | H8 | 108.5° | 109.5° |
| C13 | C12 | H9 | 108.6° | 109.5° |
| C12 | C13 | H10 | 108.9° | 109.5° |
| C51 | C52 | C53 | 119.8° | 120.1° |
| C51 | C52 | H30 | 120.1° | 119.9° |
| C54 | C53 | C52 | 119.9° | 120.3° |
| C54 | C53 | H31 | 120.0° | 119.8° |
| C53 | C54 | H32 | 120.0° | 119.9° |
| C14 | C13 | C15 | 111.0° | 109.5° |
| C14 | C13 | H10 | 109.4° | 109.5° |
| C13 | C14 | H11 | 109.5° | 109.5° |
| C13 | C14 | H12 | 109.5° | 109.5° |
| C13 | C14 | H13 | 109.4° | 109.5° |
| C15 | C13 | H10 | 109.2° | 109.5° |
| C13 | C15 | H14 | 109.5° | 109.5° |
| C13 | C15 | H15 | 109.4° | 109.5° |
| C13 | C15 | H16 | 109.5° | 109.5° |
| C53 | C52 | H30 | 120.1° | 120.0° |
| C52 | C53 | H31 | 120.1° | 119.9° |
| H1 | C39 | H2 | 109.5° | 109.4° |
| H8 | C12 | H9 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.4° | 109.4° |
| H11 | C14 | H13 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H14 | C15 | H16 | 109.4° | 109.4° |
| H15 | C15 | H16 | 109.5° | 109.4° |
| H17 | C16 | H18 | 109.5° | 109.5° |
| H23 | C32 | H24 | 109.5° | 109.5° |
| H34 | C61 | H35 | 109.5° | 109.4° |
| H34 | C61 | H36 | 109.5° | 109.6° |
| H35 | C61 | H36 | 109.5° | 109.5° |
| H37 | C62 | H38 | 109.5° | 109.5° |
| H43 | C68 | H44 | 109.5° | 109.5° |
| H43 | C68 | H39 | 109.5° | 109.4° |
| H44 | C68 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O67 | C66 | C65 | H41 | 180.0° | 179.6° |
| O67 | C66 | C65 | C68 | 174.5° | 179.9° |
| O67 | C66 | C65 | N64 | 16.3° | 0.3° |
| C66 | O67 | C63 | N64 | 20.6° | 0.4° |
| C66 | O67 | C63 | C62 | 176.0° | 179.9° |
| C65 | C66 | O67 | C63 | 22.4° | 0.4° |
| C66 | C65 | C68 | N64 | 156.4° | 179.9° |
| C66 | C65 | N64 | C63 | 3.7° | 0.0° |
| C66 | C65 | C68 | H43 | 156.4° | 90.1° |
| C66 | C65 | C68 | H44 | 36.4° | 29.9° |
| C66 | C65 | C68 | H39 | 83.6° | 150.0° |
| O67 | C63 | N64 | C65 | 11.0° | 0.2° |
| O67 | C63 | N64 | C62 | 163.7° | 179.7° |
| O67 | C63 | C62 | N60 | 131.4° | 90.3° |
| O67 | C63 | C62 | H37 | 108.7° | 149.7° |
| O67 | C63 | C62 | H38 | 11.4° | 29.7° |
| C63 | O67 | C66 | H41 | 157.6° | 180.0° |
| C36 | C35 | C34 | H27 | 180.0° | 180.0° |
| C35 | C36 | C37 | H28 | 180.0° | 180.0° |
| C36 | C35 | C34 | C33 | 2.2° | 0.0° |
| C35 | C36 | C37 | C38 | 0.6° | 0.0° |
| C36 | C35 | C34 | H26 | 177.8° | 180.0° |
| C35 | C36 | C37 | H29 | 179.4° | 179.9° |
| C34 | C35 | C36 | C37 | 0.5° | 0.0° |
| C35 | C34 | C33 | H26 | 180.0° | 180.0° |
| C35 | C34 | C33 | C38 | 4.8° | 0.0° |
| C35 | C34 | C33 | H25 | 175.2° | 179.8° |
| C34 | C35 | C36 | H28 | 179.6° | 180.0° |
| C68 | C65 | N64 | C63 | 164.2° | 179.9° |
| C68 | C65 | C66 | H41 | 5.6° | 0.2° |
| C65 | C68 | H43 | H44 | 120.0° | 120.0° |
| C65 | C68 | H43 | H39 | 120.0° | 120.0° |
| C65 | C68 | H44 | H39 | 120.0° | 120.0° |
| C36 | C37 | C38 | H29 | 180.0° | 180.0° |
| C36 | C37 | C38 | C33 | 2.0° | 0.0° |
| C36 | C37 | C38 | C32 | 176.9° | 179.8° |
| C37 | C36 | C35 | H27 | 179.6° | 180.0° |
| C65 | N64 | C63 | C62 | 174.7° | 179.9° |
| N64 | C65 | C66 | H41 | 163.7° | 179.9° |
| N64 | C65 | C68 | H43 | 0.0° | 90.1° |
| N64 | C65 | C68 | H44 | 120.0° | 149.9° |
| N64 | C65 | C68 | H39 | 120.0° | 29.9° |
| C2 | C39 | O40 | H1 | 119.2° | 120.0° |
| C2 | C39 | O40 | H2 | 119.2° | 120.1° |
| C39 | C2 | C7 | C3 | 179.8° | 179.7° |
| C39 | C2 | C7 | C6 | 179.5° | 179.7° |
| C39 | C2 | C3 | C4 | 179.3° | 180.0° |
| C2 | C39 | H1 | H2 | 122.4° | 120.0° |
| C2 | C39 | O40 | H3 | 180.0° | 180.0° |
| C39 | C2 | C3 | H4 | 0.7° | 0.1° |
| C39 | C2 | C7 | H7 | 0.5° | 0.3° |
| O40 | C39 | C2 | C7 | 88.8° | 90.3° |
| O40 | C39 | C2 | C3 | 91.4° | 90.0° |
| O40 | C39 | H1 | H2 | 122.4° | 119.9° |
| C34 | C33 | C38 | C37 | 4.6° | 0.0° |
| C34 | C33 | C38 | H25 | 180.0° | 179.8° |
| C34 | C33 | C38 | C32 | 174.4° | 179.8° |
| C33 | C34 | C35 | H27 | 177.7° | 180.0° |
| C37 | C38 | C33 | C32 | 179.0° | 179.7° |
| C37 | C38 | C32 | C19 | 66.6° | 90.3° |
| C37 | C38 | C32 | H23 | 53.2° | 149.7° |
| C37 | C38 | C32 | H24 | 173.6° | 29.8° |
| C37 | C38 | C33 | H25 | 175.4° | 179.8° |
| C38 | C37 | C36 | H28 | 179.4° | 180.0° |
| C2 | C7 | C6 | H7 | 180.0° | 179.5° |
| C2 | C7 | C6 | C5 | 1.9° | 0.6° |
| C7 | C2 | C3 | C4 | 0.9° | 0.3° |
| C7 | C2 | C39 | H1 | 152.0° | 29.7° |
| C7 | C2 | C39 | H2 | 30.4° | 149.7° |
| C7 | C2 | C3 | H4 | 179.1° | 179.8° |
| C2 | C7 | C6 | H6 | 178.1° | 179.7° |
| C6 | C7 | C2 | C3 | 0.3° | 0.6° |
| C7 | C6 | C5 | H6 | 180.0° | 179.7° |
| C7 | C6 | C5 | C4 | 2.2° | 0.3° |
| C7 | C6 | C5 | S8 | 178.8° | 179.8° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.7° | 0.1° |
| C3 | C2 | C39 | H1 | 27.8° | 150.0° |
| C3 | C2 | C39 | H2 | 149.4° | 30.0° |
| C2 | C3 | C4 | H5 | 179.4° | 180.0° |
| C3 | C2 | C7 | H7 | 179.7° | 180.0° |
| N64 | C63 | C62 | N60 | 67.9° | 90.0° |
| N64 | C63 | C62 | H37 | 52.1° | 29.9° |
| N64 | C63 | C62 | H38 | 172.2° | 150.0° |
| C63 | C62 | N60 | H37 | 119.9° | 120.0° |
| C63 | C62 | N60 | H38 | 119.9° | 120.0° |
| C63 | C62 | N60 | C61 | 92.9° | 90.0° |
| C63 | C62 | N60 | C58 | 91.5° | 90.0° |
| C63 | C62 | H37 | H38 | 120.2° | 120.1° |
| C33 | C38 | C32 | C19 | 112.4° | 90.0° |
| C33 | C38 | C32 | H23 | 127.9° | 30.0° |
| C33 | C38 | C32 | H24 | 7.4° | 150.0° |
| C38 | C33 | C34 | H26 | 175.2° | 180.0° |
| C33 | C38 | C37 | H29 | 178.0° | 179.9° |
| C6 | C5 | S8 | O9 | 32.9° | 23.5° |
| C6 | C5 | C4 | C3 | 0.9° | 0.1° |
| C6 | C5 | C4 | S8 | 176.7° | 179.9° |
| C6 | C5 | S8 | O10 | 163.1° | 156.4° |
| C6 | C5 | S8 | N11 | 80.8° | 90.0° |
| C6 | C5 | C4 | H5 | 179.1° | 180.0° |
| C5 | C6 | C7 | H7 | 178.1° | 180.0° |
| C38 | C32 | C19 | H23 | 119.8° | 120.0° |
| C38 | C32 | C19 | H24 | 119.8° | 120.0° |
| C38 | C32 | C19 | N20 | 58.8° | 65.0° |
| C38 | C32 | C19 | C17 | 178.0° | 175.0° |
| C38 | C32 | C19 | H21 | 59.8° | 55.0° |
| C38 | C32 | H23 | H24 | 120.7° | 119.9° |
| C32 | C38 | C33 | H25 | 5.6° | 0.0° |
| C32 | C38 | C37 | H29 | 3.1° | 0.2° |
| O9 | S8 | C5 | C4 | 143.8° | 156.4° |
| O9 | S8 | C5 | O10 | 130.2° | 132.9° |
| O9 | S8 | C5 | N11 | 113.7° | 113.5° |
| O9 | S8 | O10 | N11 | 121.4° | 123.0° |
| O9 | S8 | N11 | C16 | 25.0° | 156.4° |
| O9 | S8 | N11 | C12 | 175.2° | 23.5° |
| C3 | C4 | C5 | H5 | 180.0° | 179.9° |
| C3 | C4 | C5 | S8 | 177.6° | 180.0° |
| C4 | C5 | S8 | O10 | 13.6° | 23.5° |
| C4 | C5 | S8 | N11 | 102.5° | 90.1° |
| C5 | C4 | C3 | H4 | 179.4° | 180.0° |
| C4 | C5 | C6 | H6 | 177.8° | 180.0° |
| C5 | S8 | O10 | N11 | 115.8° | 114.1° |
| C5 | S8 | N11 | C16 | 90.2° | 90.0° |
| C5 | S8 | N11 | C12 | 60.0° | 90.0° |
| S8 | C5 | C4 | H5 | 2.4° | 0.1° |
| S8 | C5 | C6 | H6 | 1.2° | 0.0° |
| C62 | N60 | C61 | C58 | 175.4° | 180.0° |
| C62 | N60 | C58 | O59 | 8.2° | 4.8° |
| C62 | N60 | C58 | C55 | 173.9° | 175.2° |
| C62 | N60 | C61 | H34 | 180.0° | 94.2° |
| C62 | N60 | C61 | H35 | 60.0° | 25.8° |
| C62 | N60 | C61 | H36 | 60.0° | 145.7° |
| N60 | C62 | H37 | H38 | 120.2° | 120.0° |
| C32 | C19 | N20 | C17 | 122.8° | 120.0° |
| C32 | C19 | N20 | H21 | 118.0° | 120.0° |
| C32 | C19 | C17 | H21 | 122.3° | 120.0° |
| C32 | C19 | C17 | C16 | 70.7° | 65.0° |
| C32 | C19 | N20 | C21 | 137.6° | 85.0° |
| C32 | C19 | C17 | O18 | 48.2° | 55.0° |
| C32 | C19 | C17 | H19 | 169.6° | 175.0° |
| C32 | C19 | N20 | H22 | 42.4° | 95.0° |
| C19 | C32 | H23 | H24 | 120.7° | 120.1° |
| O10 | S8 | N11 | C16 | 154.9° | 23.5° |
| O10 | S8 | N11 | C12 | 54.8° | 156.5° |
| S8 | N11 | C16 | C12 | 147.7° | 180.0° |
| S8 | N11 | C16 | C17 | 112.1° | 95.0° |
| S8 | N11 | C12 | C13 | 134.7° | 95.0° |
| S8 | N11 | C12 | H8 | 14.1° | 145.0° |
| S8 | N11 | C12 | H9 | 104.8° | 25.1° |
| S8 | N11 | C16 | H17 | 127.8° | 145.0° |
| S8 | N11 | C16 | H18 | 7.9° | 25.0° |
| C61 | N60 | C58 | O59 | 176.3° | 175.1° |
| C61 | N60 | C58 | C55 | 1.6° | 4.9° |
| N60 | C61 | H34 | H35 | 120.0° | 119.9° |
| N60 | C61 | H34 | H36 | 120.0° | 120.0° |
| N60 | C61 | H35 | H36 | 120.0° | 120.0° |
| C61 | N60 | C62 | H37 | 147.2° | 30.0° |
| C61 | N60 | C62 | H38 | 27.0° | 150.0° |
| N60 | C58 | O59 | C55 | 178.0° | 180.0° |
| N60 | C58 | C55 | C56 | 85.7° | 140.9° |
| N60 | C58 | C55 | C54 | 103.2° | 39.4° |
| C58 | N60 | C61 | H34 | 4.6° | 85.8° |
| C58 | N60 | C61 | H35 | 115.5° | 154.3° |
| C58 | N60 | C61 | H36 | 124.5° | 34.3° |
| C58 | N60 | C62 | H37 | 28.5° | 150.0° |
| C58 | N60 | C62 | H38 | 148.6° | 30.0° |
| N20 | C19 | C17 | H21 | 119.6° | 120.0° |
| N20 | C19 | C17 | C16 | 171.3° | 175.1° |
| C19 | N20 | C21 | H22 | 180.0° | 180.0° |
| N20 | C19 | C17 | O18 | 69.9° | 65.0° |
| C19 | N20 | C21 | O22 | 7.7° | 0.0° |
| C19 | N20 | C21 | C51 | 171.7° | 180.0° |
| N20 | C19 | C17 | H19 | 51.6° | 55.0° |
| N20 | C19 | C32 | H23 | 178.5° | 55.0° |
| N20 | C19 | C32 | H24 | 61.0° | 175.0° |
| C19 | C17 | C16 | N11 | 75.6° | 175.0° |
| C19 | C17 | C16 | O18 | 120.2° | 120.0° |
| C19 | C17 | C16 | H19 | 119.8° | 120.0° |
| C17 | C19 | N20 | C21 | 99.5° | 155.0° |
| C19 | C17 | O18 | H19 | 120.8° | 119.9° |
| C19 | C17 | C16 | H17 | 164.3° | 65.0° |
| C19 | C17 | C16 | H18 | 44.4° | 55.1° |
| C19 | C17 | O18 | H20 | 180.0° | 60.0° |
| C17 | C19 | N20 | H22 | 80.4° | 25.0° |
| C17 | C19 | C32 | H23 | 62.3° | 65.0° |
| C17 | C19 | C32 | H24 | 58.2° | 55.0° |
| N11 | C16 | C17 | H17 | 120.1° | 120.0° |
| N11 | C16 | C17 | H18 | 120.0° | 119.9° |
| N11 | C16 | C17 | O18 | 164.1° | 65.0° |
| C16 | N11 | C12 | C13 | 76.7° | 85.0° |
| C16 | N11 | C12 | H8 | 162.8° | 35.0° |
| C16 | N11 | C12 | H9 | 43.9° | 155.0° |
| N11 | C16 | H17 | H18 | 119.9° | 120.0° |
| N11 | C16 | C17 | H19 | 44.2° | 55.0° |
| C17 | C16 | N11 | C12 | 100.2° | 85.1° |
| C16 | C17 | O18 | H19 | 119.1° | 120.1° |
| C17 | C16 | H17 | H18 | 119.8° | 120.0° |
| C16 | C17 | O18 | H20 | 59.9° | 60.0° |
| C16 | C17 | C19 | H21 | 51.6° | 55.1° |
| N11 | C12 | C13 | H8 | 120.6° | 120.0° |
| N11 | C12 | C13 | H9 | 120.5° | 120.0° |
| N11 | C12 | C13 | C14 | 65.4° | 175.0° |
| N11 | C12 | C13 | C15 | 173.3° | 65.0° |
| N11 | C12 | H8 | H9 | 118.3° | 119.9° |
| N11 | C12 | C13 | H10 | 56.1° | 55.0° |
| C12 | N11 | C16 | H17 | 19.8° | 35.0° |
| C12 | N11 | C16 | H18 | 139.8° | 155.0° |
| O59 | C58 | C55 | C56 | 92.4° | 39.1° |
| O59 | C58 | C55 | C54 | 78.7° | 140.6° |
| C58 | C55 | C56 | C54 | 171.2° | 179.8° |
| C58 | C55 | C56 | C51 | 179.9° | 179.7° |
| C58 | C55 | C54 | C53 | 174.4° | 180.0° |
| C58 | C55 | C54 | H32 | 5.6° | 0.0° |
| C58 | C55 | C56 | H33 | 0.1° | 0.2° |
| N20 | C21 | C51 | C56 | 41.2° | 179.7° |
| N20 | C21 | O22 | C51 | 179.4° | 179.9° |
| N20 | C21 | C51 | C52 | 134.1° | 0.1° |
| C21 | N20 | C19 | H21 | 19.6° | 35.0° |
| C55 | C56 | C51 | H33 | 180.0° | 179.5° |
| C55 | C56 | C51 | C21 | 176.3° | 179.8° |
| C55 | C56 | C51 | C52 | 8.4° | 0.6° |
| C56 | C55 | C54 | C53 | 3.7° | 0.3° |
| C56 | C55 | C54 | H32 | 176.3° | 179.8° |
| C56 | C51 | C21 | O22 | 138.3° | 0.3° |
| C56 | C51 | C21 | C52 | 175.3° | 179.7° |
| C51 | C56 | C55 | C54 | 8.8° | 0.5° |
| C56 | C51 | C52 | C53 | 3.0° | 0.3° |
| C56 | C51 | C52 | H30 | 177.1° | 179.7° |
| O18 | C17 | C16 | H17 | 44.1° | 55.0° |
| O18 | C17 | C16 | H18 | 75.8° | 175.0° |
| O18 | C17 | C19 | H21 | 170.4° | 175.0° |
| O22 | C21 | C51 | C52 | 46.4° | 180.0° |
| O22 | C21 | N20 | H22 | 172.3° | 180.0° |
| C21 | C51 | C52 | C53 | 178.2° | 180.0° |
| C51 | C21 | N20 | H22 | 8.3° | 0.1° |
| C21 | C51 | C52 | H30 | 1.8° | 0.1° |
| C21 | C51 | C56 | H33 | 3.7° | 0.3° |
| C55 | C54 | C53 | H32 | 180.0° | 179.9° |
| C55 | C54 | C53 | C52 | 1.9° | 0.0° |
| C55 | C54 | C53 | H31 | 178.1° | 180.0° |
| C54 | C55 | C56 | H33 | 171.2° | 180.0° |
| C12 | C13 | C14 | C15 | 118.2° | 120.0° |
| C12 | C13 | C14 | H10 | 121.3° | 120.0° |
| C12 | C13 | C15 | H10 | 117.0° | 120.0° |
| C13 | C12 | H8 | H9 | 118.3° | 120.0° |
| C12 | C13 | C14 | H11 | 180.0° | 60.0° |
| C12 | C13 | C14 | H12 | 60.0° | 179.9° |
| C12 | C13 | C14 | H13 | 60.0° | 60.0° |
| C12 | C13 | C15 | H14 | 180.0° | 60.0° |
| C12 | C13 | C15 | H15 | 60.0° | 180.0° |
| C12 | C13 | C15 | H16 | 60.0° | 60.0° |
| C51 | C52 | C53 | C54 | 2.2° | 0.0° |
| C51 | C52 | C53 | H30 | 180.0° | 180.0° |
| C51 | C52 | C53 | H31 | 177.8° | 180.0° |
| C52 | C51 | C56 | H33 | 171.6° | 180.0° |
| C54 | C53 | C52 | H31 | 180.0° | 180.0° |
| C54 | C53 | C52 | H30 | 177.8° | 180.0° |
| C14 | C13 | C15 | H10 | 120.7° | 120.0° |
| C14 | C13 | C12 | H8 | 55.1° | 55.0° |
| C14 | C13 | C12 | H9 | 174.0° | 65.0° |
| C13 | C14 | H11 | H12 | 120.0° | 120.0° |
| C13 | C14 | H11 | H13 | 120.0° | 120.0° |
| C13 | C14 | H12 | H13 | 120.0° | 120.0° |
| C14 | C13 | C15 | H14 | 57.7° | 180.0° |
| C14 | C13 | C15 | H15 | 62.3° | 60.0° |
| C14 | C13 | C15 | H16 | 177.7° | 60.0° |
| C15 | C13 | C12 | H8 | 66.2° | 175.0° |
| C15 | C13 | C12 | H9 | 52.7° | 55.0° |
| C15 | C13 | C14 | H11 | 61.8° | 60.0° |
| C15 | C13 | C14 | H12 | 178.2° | 60.0° |
| C15 | C13 | C14 | H13 | 58.2° | 180.0° |
| C13 | C15 | H14 | H15 | 120.0° | 120.0° |
| C13 | C15 | H14 | H16 | 120.0° | 120.0° |
| C13 | C15 | H15 | H16 | 120.0° | 120.1° |
| C52 | C53 | C54 | H32 | 178.1° | 179.9° |
| H1 | C39 | O40 | H3 | 60.8° | 60.0° |
| H2 | C39 | O40 | H3 | 60.8° | 59.9° |
| H4 | C3 | C4 | H5 | 0.6° | 0.1° |
| H6 | C6 | C7 | H7 | 1.9° | 0.2° |
| H8 | C12 | C13 | H10 | 176.7° | 65.0° |
| H9 | C12 | C13 | H10 | 64.4° | 175.0° |
| H10 | C13 | C14 | H11 | 58.7° | 180.0° |
| H10 | C13 | C14 | H12 | 61.2° | 60.1° |
| H10 | C13 | C14 | H13 | 178.7° | 60.0° |
| H10 | C13 | C15 | H14 | 62.9° | 60.0° |
| H10 | C13 | C15 | H15 | 177.0° | 60.0° |
| H10 | C13 | C15 | H16 | 57.0° | 180.0° |
| H11 | C14 | H12 | H13 | 120.0° | 120.0° |
| H14 | C15 | H15 | H16 | 120.0° | 119.9° |
| H17 | C16 | C17 | H19 | 75.9° | 175.0° |
| H18 | C16 | C17 | H19 | 164.2° | 64.9° |
| H19 | C17 | O18 | H20 | 59.2° | 179.9° |
| H19 | C17 | C19 | H21 | 68.1° | 65.0° |
| H21 | C19 | N20 | H22 | 160.4° | 145.0° |
| H21 | C19 | C32 | H23 | 60.0° | 174.9° |
| H21 | C19 | C32 | H24 | 179.5° | 65.0° |
| H25 | C33 | C34 | H26 | 4.8° | 0.2° |
| H26 | C34 | C35 | H27 | 2.3° | 0.0° |
| H27 | C35 | C36 | H28 | 0.4° | 0.0° |
| H28 | C36 | C37 | H29 | 0.6° | 0.1° |
| H30 | C52 | C53 | H31 | 2.2° | 0.0° |
| H31 | C53 | C54 | H32 | 1.9° | 0.1° |
| H34 | C61 | H35 | H36 | 120.0° | 120.1° |
| H43 | C68 | H44 | H39 | 120.0° | 120.0° |
