Y9N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F62 | C36 | sing | 1.35Å | 1.35Å | |
| C36 | C35 | doub | 1.38Å | 1.37Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.35Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.35Å | Aromatic |
| N73 | C74 | doub | 1.32Å | 1.34Å | Aromatic |
| N73 | C72 | sing | 1.32Å | 1.33Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C74 | C75 | sing | 1.38Å | 1.37Å | Aromatic |
| C34 | F61 | sing | 1.35Å | 1.34Å | |
| C34 | C33 | doub | 1.39Å | 1.37Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| O39 | C40 | sing | 1.43Å | 1.41Å | |
| O39 | C2 | sing | 1.36Å | 1.37Å | |
| C72 | C71 | doub | 1.39Å | 1.36Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| O9 | S8 | doub | 1.42Å | 1.41Å | |
| C38 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C38 | C32 | sing | 1.51Å | 1.53Å | |
| C75 | C76 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | S8 | sing | 1.76Å | 1.73Å | |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C71 | C76 | sing | 1.40Å | 1.41Å | Aromatic |
| C71 | C65 | sing | 1.48Å | 1.50Å | |
| S8 | O10 | doub | 1.42Å | 1.41Å | |
| S8 | N11 | sing | 1.66Å | 1.62Å | |
| C32 | C19 | sing | 1.53Å | 1.53Å | |
| C65 | N66 | doub | 1.33Å | 1.33Å | Aromatic |
| C65 | C64 | sing | 1.40Å | 1.34Å | Aromatic |
| N66 | C61 | sing | 1.32Å | 1.32Å | Aromatic |
| O22 | C21 | doub | 1.22Å | 1.22Å | |
| C64 | C63 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | N20 | sing | 1.47Å | 1.46Å | |
| C19 | C17 | sing | 1.53Å | 1.57Å | |
| N11 | C16 | sing | 1.46Å | 1.49Å | |
| N11 | C12 | sing | 1.47Å | 1.50Å | |
| C61 | N60 | sing | 1.39Å | 1.32Å | |
| C61 | N62 | doub | 1.33Å | 1.36Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| N60 | C55 | sing | 1.40Å | 1.38Å | |
| C21 | N20 | sing | 1.35Å | 1.31Å | |
| C21 | C51 | sing | 1.48Å | 1.48Å | |
| C56 | C55 | doub | 1.39Å | 1.40Å | Aromatic |
| C56 | C51 | sing | 1.40Å | 1.39Å | Aromatic |
| C63 | N62 | sing | 1.32Å | 1.36Å | Aromatic |
| C17 | O18 | sing | 1.43Å | 1.42Å | |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| C55 | C54 | sing | 1.39Å | 1.38Å | Aromatic |
| C51 | C52 | doub | 1.40Å | 1.36Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C15 | sing | 1.53Å | 1.51Å | |
| C52 | C53 | sing | 1.38Å | 1.41Å | Aromatic |
| C54 | C53 | doub | 1.38Å | 1.39Å | Aromatic |
| C54 | C57 | sing | 1.51Å | 1.51Å | |
| N20 | H1 | sing | 0.97Å | 1.00Å | |
| C19 | H2 | sing | 1.09Å | 1.10Å | |
| C32 | H3 | sing | 1.09Å | 1.10Å | |
| C32 | H4 | sing | 1.09Å | 1.10Å | |
| C33 | H5 | sing | 1.08Å | 1.08Å | |
| C35 | H6 | sing | 1.08Å | 1.08Å | |
| C37 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| O18 | H9 | sing | 0.97Å | 0.95Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C6 | H21 | sing | 1.08Å | 1.08Å | |
| C7 | H22 | sing | 1.08Å | 1.08Å | |
| C3 | H23 | sing | 1.08Å | 1.08Å | |
| C4 | H24 | sing | 1.08Å | 1.08Å | |
| C56 | H25 | sing | 1.08Å | 1.08Å | |
| C57 | H26 | sing | 1.09Å | 1.10Å | |
| C57 | H27 | sing | 1.09Å | 1.10Å | |
| C57 | H28 | sing | 1.09Å | 1.10Å | |
| C53 | H29 | sing | 1.08Å | 1.08Å | |
| C52 | H30 | sing | 1.08Å | 1.08Å | |
| N60 | H31 | sing | 0.97Å | 1.00Å | |
| C63 | H32 | sing | 1.08Å | 1.08Å | |
| C64 | H33 | sing | 1.08Å | 1.08Å | |
| C72 | H34 | sing | 1.08Å | 1.08Å | |
| C74 | H35 | sing | 1.08Å | 1.08Å | |
| C75 | H36 | sing | 1.08Å | 1.08Å | |
| C76 | H37 | sing | 1.08Å | 1.08Å | |
| C40 | H38 | sing | 1.09Å | 1.10Å | |
| C40 | H39 | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F62 | C36 | C35 | 117.8° | 120.0° |
| F62 | C36 | C37 | 118.1° | 120.0° |
| C35 | C36 | C37 | 124.1° | 120.0° |
| C36 | C35 | C34 | 117.2° | 119.9° |
| C36 | C35 | H6 | 121.4° | 120.1° |
| C36 | C37 | C38 | 118.6° | 120.0° |
| C36 | C37 | H7 | 120.7° | 120.0° |
| C35 | C34 | F61 | 119.8° | 120.0° |
| C35 | C34 | C33 | 122.0° | 120.0° |
| C34 | C35 | H6 | 121.4° | 120.0° |
| C74 | N73 | C72 | 121.5° | 121.8° |
| N73 | C74 | C75 | 122.1° | 121.0° |
| N73 | C74 | H35 | 119.0° | 119.5° |
| N73 | C72 | C71 | 120.5° | 120.6° |
| N73 | C72 | H34 | 119.8° | 119.6° |
| C37 | C38 | C33 | 118.3° | 120.1° |
| C37 | C38 | C32 | 121.5° | 120.0° |
| C38 | C37 | H7 | 120.7° | 120.0° |
| C74 | C75 | C76 | 117.0° | 119.3° |
| C75 | C74 | H35 | 119.0° | 119.5° |
| C74 | C75 | H36 | 121.5° | 120.4° |
| F61 | C34 | C33 | 118.1° | 120.0° |
| C34 | C33 | C38 | 119.8° | 120.0° |
| C34 | C33 | H5 | 120.1° | 120.0° |
| C2 | C3 | C4 | 120.6° | 120.0° |
| C3 | C2 | O39 | 116.0° | 120.0° |
| C3 | C2 | C7 | 120.7° | 119.9° |
| C2 | C3 | H23 | 119.7° | 120.0° |
| C3 | C4 | C5 | 119.9° | 120.0° |
| C4 | C3 | H23 | 119.7° | 120.0° |
| C3 | C4 | H24 | 120.0° | 120.0° |
| C40 | O39 | C2 | 118.8° | 117.0° |
| O39 | C40 | H38 | 109.5° | 109.4° |
| O39 | C40 | H39 | 109.4° | 109.5° |
| O39 | C40 | H40 | 109.4° | 109.5° |
| O39 | C2 | C7 | 123.3° | 120.1° |
| C72 | C71 | C76 | 118.7° | 118.9° |
| C72 | C71 | C65 | 120.3° | 120.5° |
| C71 | C72 | H34 | 119.8° | 119.8° |
| C2 | C7 | C6 | 118.2° | 119.9° |
| C2 | C7 | H22 | 120.9° | 120.1° |
| C4 | C5 | C6 | 119.0° | 120.1° |
| C4 | C5 | S8 | 120.6° | 119.9° |
| C5 | C4 | H24 | 120.0° | 120.0° |
| O9 | S8 | C5 | 108.1° | 106.4° |
| O9 | S8 | O10 | 118.7° | 123.1° |
| O9 | S8 | N11 | 108.2° | 106.4° |
| C33 | C38 | C32 | 119.9° | 120.0° |
| C38 | C33 | H5 | 120.1° | 120.0° |
| C38 | C32 | C19 | 108.4° | 109.5° |
| C38 | C32 | H3 | 109.7° | 109.5° |
| C38 | C32 | H4 | 109.7° | 109.5° |
| C75 | C76 | C71 | 120.2° | 118.3° |
| C76 | C75 | H36 | 121.5° | 120.3° |
| C75 | C76 | H37 | 119.9° | 120.9° |
| C6 | C5 | S8 | 119.9° | 120.0° |
| C5 | C6 | C7 | 121.5° | 120.1° |
| C5 | C6 | H21 | 119.3° | 120.0° |
| C5 | S8 | O10 | 108.5° | 106.4° |
| C5 | S8 | N11 | 110.1° | 107.2° |
| C7 | C6 | H21 | 119.2° | 120.0° |
| C6 | C7 | H22 | 120.9° | 120.0° |
| C76 | C71 | C65 | 121.0° | 120.6° |
| C71 | C76 | H37 | 119.9° | 120.8° |
| C71 | C65 | N66 | 119.3° | 120.5° |
| C71 | C65 | C64 | 119.1° | 120.5° |
| O10 | S8 | N11 | 103.0° | 106.4° |
| S8 | N11 | C16 | 117.4° | 120.0° |
| S8 | N11 | C12 | 116.5° | 120.0° |
| C32 | C19 | N20 | 111.1° | 109.5° |
| C32 | C19 | C17 | 112.0° | 109.5° |
| C32 | C19 | H2 | 108.2° | 109.5° |
| C19 | C32 | H3 | 109.7° | 109.5° |
| C19 | C32 | H4 | 109.7° | 109.5° |
| N66 | C65 | C64 | 121.2° | 119.0° |
| C65 | N66 | C61 | 121.9° | 120.6° |
| C65 | C64 | C63 | 116.9° | 118.4° |
| C65 | C64 | H33 | 121.6° | 120.8° |
| N66 | C61 | N60 | 117.5° | 119.2° |
| N66 | C61 | N62 | 119.5° | 121.7° |
| O22 | C21 | N20 | 120.6° | 120.0° |
| O22 | C21 | C51 | 121.4° | 120.0° |
| C64 | C63 | N62 | 121.2° | 119.3° |
| C64 | C63 | H32 | 119.4° | 120.3° |
| C63 | C64 | H33 | 121.5° | 120.8° |
| N20 | C19 | C17 | 108.6° | 109.5° |
| C19 | N20 | C21 | 121.7° | 120.0° |
| C19 | N20 | H1 | 119.2° | 120.0° |
| N20 | C19 | H2 | 109.1° | 109.4° |
| C19 | C17 | C16 | 112.6° | 109.5° |
| C19 | C17 | O18 | 108.7° | 109.5° |
| C17 | C19 | H2 | 107.7° | 109.5° |
| C19 | C17 | H8 | 107.1° | 109.5° |
| C16 | N11 | C12 | 115.7° | 120.0° |
| N11 | C16 | C17 | 110.8° | 109.4° |
| N11 | C16 | H10 | 109.2° | 109.5° |
| N11 | C16 | H11 | 109.1° | 109.5° |
| N11 | C12 | C13 | 111.1° | 109.5° |
| N11 | C12 | H12 | 109.1° | 109.5° |
| N11 | C12 | H13 | 109.0° | 109.4° |
| N60 | C61 | N62 | 122.9° | 119.1° |
| C61 | N60 | C55 | 129.7° | 120.0° |
| C61 | N60 | H31 | 115.2° | 120.0° |
| C61 | N62 | C63 | 118.8° | 121.0° |
| C16 | C17 | O18 | 112.1° | 109.5° |
| C16 | C17 | H8 | 107.3° | 109.5° |
| C17 | C16 | H10 | 109.1° | 109.5° |
| C17 | C16 | H11 | 109.1° | 109.5° |
| N60 | C55 | C56 | 114.6° | 120.0° |
| N60 | C55 | C54 | 124.5° | 120.0° |
| C55 | N60 | H31 | 115.2° | 120.0° |
| N20 | C21 | C51 | 118.0° | 120.0° |
| C21 | N20 | H1 | 119.1° | 120.0° |
| C21 | C51 | C56 | 117.0° | 120.1° |
| C21 | C51 | C52 | 122.1° | 120.1° |
| C55 | C56 | C51 | 119.3° | 119.8° |
| C56 | C55 | C54 | 120.8° | 120.0° |
| C55 | C56 | H25 | 120.3° | 120.2° |
| C56 | C51 | C52 | 120.0° | 119.8° |
| C51 | C56 | H25 | 120.3° | 120.1° |
| N62 | C63 | H32 | 119.4° | 120.4° |
| O18 | C17 | H8 | 109.0° | 109.5° |
| C17 | O18 | H9 | 109.5° | 114.0° |
| C12 | C13 | C14 | 110.6° | 109.5° |
| C12 | C13 | C15 | 106.4° | 109.5° |
| C13 | C12 | H12 | 109.1° | 109.4° |
| C13 | C12 | H13 | 109.0° | 109.5° |
| C12 | C13 | H14 | 108.5° | 109.5° |
| C55 | C54 | C53 | 119.3° | 120.2° |
| C55 | C54 | C57 | 121.3° | 119.9° |
| C51 | C52 | C53 | 121.1° | 120.0° |
| C51 | C52 | H30 | 119.4° | 120.0° |
| C14 | C13 | C15 | 113.2° | 109.5° |
| C14 | C13 | H14 | 108.8° | 109.5° |
| C13 | C14 | H15 | 109.5° | 109.4° |
| C13 | C14 | H16 | 109.4° | 109.5° |
| C13 | C14 | H17 | 109.5° | 109.4° |
| C15 | C13 | H14 | 109.2° | 109.4° |
| C13 | C15 | H18 | 109.5° | 109.4° |
| C13 | C15 | H19 | 109.5° | 109.5° |
| C13 | C15 | H20 | 109.5° | 109.5° |
| C52 | C53 | C54 | 119.1° | 120.2° |
| C52 | C53 | H29 | 120.5° | 119.9° |
| C53 | C52 | H30 | 119.5° | 120.0° |
| C53 | C54 | C57 | 119.4° | 119.9° |
| C54 | C53 | H29 | 120.4° | 119.9° |
| C54 | C57 | H26 | 109.5° | 109.5° |
| C54 | C57 | H27 | 109.5° | 109.4° |
| C54 | C57 | H28 | 109.4° | 109.5° |
| H3 | C32 | H4 | 109.4° | 109.5° |
| H10 | C16 | H11 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| H15 | C14 | H17 | 109.4° | 109.5° |
| H16 | C14 | H17 | 109.5° | 109.5° |
| H18 | C15 | H19 | 109.5° | 109.5° |
| H18 | C15 | H20 | 109.5° | 109.5° |
| H19 | C15 | H20 | 109.5° | 109.5° |
| H26 | C57 | H27 | 109.4° | 109.5° |
| H26 | C57 | H28 | 109.5° | 109.5° |
| H27 | C57 | H28 | 109.5° | 109.5° |
| H38 | C40 | H39 | 109.5° | 109.5° |
| H38 | C40 | H40 | 109.5° | 109.5° |
| H39 | C40 | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F62 | C36 | C35 | C37 | 178.8° | 179.8° |
| F62 | C36 | C35 | C34 | 178.5° | 180.0° |
| F62 | C36 | C37 | C38 | 178.4° | 179.7° |
| F62 | C36 | C35 | H6 | 1.5° | 0.0° |
| F62 | C36 | C37 | H7 | 1.7° | 0.2° |
| C36 | C35 | C34 | H6 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.5° | 0.6° |
| C36 | C35 | C34 | F61 | 176.9° | 180.0° |
| C36 | C35 | C34 | C33 | 0.8° | 0.0° |
| C35 | C36 | C37 | H7 | 179.5° | 180.0° |
| C37 | C36 | C35 | C34 | 0.4° | 0.3° |
| C36 | C37 | C38 | H7 | 180.0° | 179.4° |
| C36 | C37 | C38 | C33 | 0.5° | 0.6° |
| C36 | C37 | C38 | C32 | 175.4° | 179.8° |
| C37 | C36 | C35 | H6 | 179.6° | 179.8° |
| C35 | C34 | F61 | C33 | 176.2° | 180.0° |
| C35 | C34 | C33 | C38 | 1.8° | 0.0° |
| C35 | C34 | C33 | H5 | 178.2° | 180.0° |
| N73 | C74 | C75 | H35 | 180.0° | 179.9° |
| C74 | N73 | C72 | C71 | 0.5° | 0.0° |
| N73 | C74 | C75 | C76 | 0.3° | 0.0° |
| C74 | N73 | C72 | H34 | 179.5° | 180.0° |
| N73 | C74 | C75 | H36 | 179.7° | 180.0° |
| C72 | N73 | C74 | C75 | 0.9° | 0.0° |
| N73 | C72 | C71 | H34 | 180.0° | 180.0° |
| N73 | C72 | C71 | C76 | 0.5° | 0.0° |
| N73 | C72 | C71 | C65 | 179.2° | 179.7° |
| C72 | N73 | C74 | H35 | 179.1° | 180.0° |
| C37 | C38 | C33 | C34 | 1.6° | 0.3° |
| C37 | C38 | C33 | C32 | 175.0° | 179.7° |
| C37 | C38 | C32 | C19 | 81.3° | 90.3° |
| C37 | C38 | C32 | H3 | 38.6° | 149.7° |
| C37 | C38 | C32 | H4 | 158.8° | 29.7° |
| C37 | C38 | C33 | H5 | 178.4° | 179.7° |
| C74 | C75 | C76 | H36 | 180.0° | 180.0° |
| C74 | C75 | C76 | C71 | 0.7° | 0.0° |
| C74 | C75 | C76 | H37 | 179.3° | 179.7° |
| F61 | C34 | C33 | C38 | 177.9° | 180.0° |
| F61 | C34 | C33 | H5 | 2.1° | 0.0° |
| F61 | C34 | C35 | H6 | 3.1° | 0.0° |
| C34 | C33 | C38 | H5 | 180.0° | 180.0° |
| C34 | C33 | C38 | C32 | 176.6° | 180.0° |
| C33 | C34 | C35 | H6 | 179.2° | 180.0° |
| C2 | C3 | C4 | H23 | 180.0° | 179.7° |
| C3 | C2 | O39 | C40 | 177.2° | 0.0° |
| C3 | C2 | O39 | C7 | 178.1° | 180.0° |
| C2 | C3 | C4 | C5 | 3.9° | 0.6° |
| C3 | C2 | C7 | C6 | 1.4° | 0.0° |
| C3 | C2 | C7 | H22 | 178.6° | 179.9° |
| C2 | C3 | C4 | H24 | 176.1° | 180.0° |
| C4 | C3 | C2 | O39 | 175.7° | 179.7° |
| C4 | C3 | C2 | C7 | 2.5° | 0.3° |
| C3 | C4 | C5 | H24 | 180.0° | 179.5° |
| C3 | C4 | C5 | C6 | 4.2° | 0.6° |
| C3 | C4 | C5 | S8 | 175.5° | 179.7° |
| C40 | O39 | C2 | C7 | 4.7° | 180.0° |
| O39 | C40 | H38 | H39 | 120.0° | 120.0° |
| O39 | C40 | H38 | H40 | 120.0° | 120.0° |
| O39 | C40 | H39 | H40 | 120.0° | 120.0° |
| O39 | C2 | C7 | C6 | 176.6° | 180.0° |
| O39 | C2 | C7 | H22 | 3.4° | 0.1° |
| O39 | C2 | C3 | H23 | 4.3° | 0.0° |
| C2 | O39 | C40 | H38 | 180.0° | 60.0° |
| C2 | O39 | C40 | H39 | 60.0° | 180.0° |
| C2 | O39 | C40 | H40 | 60.0° | 60.0° |
| C72 | C71 | C76 | C75 | 1.1° | 0.0° |
| C72 | C71 | C76 | C65 | 179.8° | 179.8° |
| C72 | C71 | C65 | N66 | 35.1° | 179.8° |
| C72 | C71 | C65 | C64 | 152.1° | 0.3° |
| C72 | C71 | C76 | H37 | 178.9° | 179.7° |
| C2 | C7 | C6 | C5 | 1.8° | 0.0° |
| C2 | C7 | C6 | H22 | 180.0° | 179.9° |
| C2 | C7 | C6 | H21 | 178.2° | 180.0° |
| C7 | C2 | C3 | H23 | 177.5° | 180.0° |
| C4 | C5 | S8 | O9 | 34.5° | 149.2° |
| C4 | C5 | C6 | S8 | 171.4° | 179.7° |
| C4 | C5 | C6 | C7 | 3.2° | 0.3° |
| C4 | C5 | S8 | O10 | 164.5° | 16.3° |
| C4 | C5 | S8 | N11 | 83.5° | 97.3° |
| C4 | C5 | C6 | H21 | 176.9° | 179.7° |
| C5 | C4 | C3 | H23 | 176.1° | 179.7° |
| O9 | S8 | C5 | C6 | 154.2° | 30.5° |
| O9 | S8 | C5 | O10 | 130.0° | 132.9° |
| O9 | S8 | C5 | N11 | 118.0° | 113.5° |
| O9 | S8 | O10 | N11 | 119.5° | 122.9° |
| O9 | S8 | N11 | C16 | 32.1° | 152.5° |
| O9 | S8 | N11 | C12 | 175.5° | 27.5° |
| C33 | C38 | C32 | C19 | 93.5° | 90.0° |
| C33 | C38 | C32 | H3 | 146.6° | 30.0° |
| C33 | C38 | C32 | H4 | 26.3° | 150.0° |
| C33 | C38 | C37 | H7 | 179.5° | 180.0° |
| C38 | C32 | C19 | H3 | 119.9° | 120.0° |
| C38 | C32 | C19 | H4 | 119.9° | 120.0° |
| C38 | C32 | C19 | N20 | 58.4° | 65.0° |
| C38 | C32 | C19 | C17 | 179.9° | 175.0° |
| C38 | C32 | C19 | H2 | 61.3° | 55.0° |
| C38 | C32 | H3 | H4 | 120.5° | 120.0° |
| C32 | C38 | C33 | H5 | 3.4° | 0.1° |
| C32 | C38 | C37 | H7 | 4.6° | 0.3° |
| C75 | C76 | C71 | H37 | 180.0° | 179.7° |
| C75 | C76 | C71 | C65 | 178.6° | 179.7° |
| C76 | C75 | C74 | H35 | 179.7° | 180.0° |
| C5 | C6 | C7 | H21 | 180.0° | 180.0° |
| C6 | C5 | S8 | O10 | 24.2° | 163.4° |
| C6 | C5 | S8 | N11 | 87.8° | 83.0° |
| C5 | C6 | C7 | H22 | 178.2° | 179.9° |
| C6 | C5 | C4 | H24 | 175.8° | 180.0° |
| S8 | C5 | C6 | C7 | 174.5° | 180.0° |
| C5 | S8 | O10 | N11 | 116.7° | 114.1° |
| C5 | S8 | N11 | C16 | 85.8° | 94.0° |
| C5 | S8 | N11 | C12 | 57.6° | 86.0° |
| S8 | C5 | C6 | H21 | 5.5° | 0.0° |
| S8 | C5 | C4 | H24 | 4.5° | 0.2° |
| C76 | C71 | C65 | N66 | 145.2° | 0.0° |
| C76 | C71 | C65 | C64 | 27.6° | 179.5° |
| C76 | C71 | C72 | H34 | 179.4° | 180.0° |
| C71 | C76 | C75 | H36 | 179.3° | 180.0° |
| C71 | C65 | N66 | C64 | 172.7° | 179.5° |
| C71 | C65 | N66 | C61 | 178.2° | 180.0° |
| C71 | C65 | C64 | C63 | 179.0° | 179.7° |
| C71 | C65 | C64 | H33 | 1.0° | 0.3° |
| C65 | C71 | C72 | H34 | 0.8° | 0.2° |
| C65 | C71 | C76 | H37 | 1.4° | 0.0° |
| O10 | S8 | N11 | C16 | 158.6° | 19.6° |
| O10 | S8 | N11 | C12 | 58.0° | 160.4° |
| S8 | N11 | C16 | C12 | 143.7° | 180.0° |
| S8 | N11 | C16 | C17 | 115.6° | 103.5° |
| S8 | N11 | C12 | C13 | 143.9° | 93.2° |
| S8 | N11 | C16 | H10 | 124.2° | 136.5° |
| S8 | N11 | C16 | H11 | 4.6° | 16.5° |
| S8 | N11 | C12 | H12 | 23.7° | 26.7° |
| S8 | N11 | C12 | H13 | 95.8° | 146.7° |
| C32 | C19 | N20 | C17 | 123.7° | 120.0° |
| C32 | C19 | N20 | H2 | 119.2° | 120.0° |
| C32 | C19 | C17 | H2 | 118.9° | 120.0° |
| C32 | C19 | C17 | C16 | 74.4° | 65.0° |
| C32 | C19 | N20 | C21 | 102.2° | 85.0° |
| C32 | C19 | C17 | O18 | 50.4° | 55.0° |
| C32 | C19 | N20 | H1 | 77.8° | 95.0° |
| C19 | C32 | H3 | H4 | 120.5° | 120.0° |
| C32 | C19 | C17 | H8 | 168.0° | 175.0° |
| N66 | C65 | C64 | C63 | 6.4° | 0.2° |
| C65 | N66 | C61 | N60 | 174.9° | 179.7° |
| C65 | N66 | C61 | N62 | 0.9° | 0.5° |
| N66 | C65 | C64 | H33 | 173.6° | 179.8° |
| C64 | C65 | N66 | C61 | 5.6° | 0.5° |
| C65 | C64 | C63 | H33 | 180.0° | 180.0° |
| C65 | C64 | C63 | N62 | 1.0° | 0.1° |
| C65 | C64 | C63 | H32 | 179.0° | 179.9° |
| N66 | C61 | N60 | N62 | 175.7° | 179.8° |
| N66 | C61 | N60 | C55 | 175.6° | 173.7° |
| N66 | C61 | N62 | C63 | 6.2° | 0.2° |
| N66 | C61 | N60 | H31 | 4.3° | 6.3° |
| O22 | C21 | N20 | C19 | 5.9° | 0.0° |
| O22 | C21 | N20 | C51 | 179.2° | 179.7° |
| O22 | C21 | C51 | C56 | 37.8° | 0.3° |
| O22 | C21 | C51 | C52 | 131.5° | 180.0° |
| O22 | C21 | N20 | H1 | 174.2° | 180.0° |
| C64 | C63 | N62 | C61 | 5.2° | 0.1° |
| C64 | C63 | N62 | H32 | 180.0° | 179.9° |
| N20 | C19 | C17 | H2 | 118.0° | 120.0° |
| N20 | C19 | C17 | C16 | 162.5° | 175.0° |
| C19 | N20 | C21 | H1 | 180.0° | 180.0° |
| C19 | N20 | C21 | C51 | 173.3° | 179.7° |
| N20 | C19 | C17 | O18 | 72.7° | 65.0° |
| N20 | C19 | C32 | H3 | 178.2° | 55.0° |
| N20 | C19 | C32 | H4 | 61.5° | 175.0° |
| N20 | C19 | C17 | H8 | 44.8° | 55.0° |
| C19 | C17 | C16 | N11 | 65.8° | 174.3° |
| C19 | C17 | C16 | O18 | 122.9° | 120.0° |
| C19 | C17 | C16 | H8 | 117.5° | 120.0° |
| C17 | C19 | N20 | C21 | 134.1° | 155.0° |
| C19 | C17 | O18 | H8 | 116.4° | 120.0° |
| C17 | C19 | N20 | H1 | 45.9° | 25.0° |
| C17 | C19 | C32 | H3 | 60.1° | 65.0° |
| C17 | C19 | C32 | H4 | 60.2° | 55.0° |
| C19 | C17 | O18 | H9 | 180.0° | 64.6° |
| C19 | C17 | C16 | H10 | 174.0° | 54.3° |
| C19 | C17 | C16 | H11 | 54.5° | 65.7° |
| N11 | C16 | C17 | H10 | 120.2° | 120.0° |
| N11 | C16 | C17 | H11 | 120.2° | 120.0° |
| N11 | C16 | C17 | O18 | 171.3° | 65.7° |
| C16 | N11 | C12 | C13 | 72.0° | 86.8° |
| N11 | C16 | C17 | H8 | 51.8° | 54.3° |
| N11 | C16 | H10 | H11 | 119.4° | 120.0° |
| C16 | N11 | C12 | H12 | 167.7° | 153.3° |
| C16 | N11 | C12 | H13 | 48.3° | 33.3° |
| C12 | N11 | C16 | C17 | 100.6° | 76.5° |
| N11 | C12 | C13 | H12 | 120.3° | 120.0° |
| N11 | C12 | C13 | H13 | 120.2° | 120.0° |
| N11 | C12 | C13 | C14 | 62.8° | 174.2° |
| N11 | C12 | C13 | C15 | 173.8° | 65.8° |
| C12 | N11 | C16 | H10 | 19.6° | 43.5° |
| C12 | N11 | C16 | H11 | 139.2° | 163.5° |
| N11 | C12 | H12 | H13 | 119.2° | 120.0° |
| N11 | C12 | C13 | H14 | 56.4° | 54.2° |
| C61 | N60 | C55 | H31 | 180.0° | 180.0° |
| C61 | N60 | C55 | C56 | 124.4° | 28.4° |
| N60 | C61 | N62 | C63 | 169.5° | 180.0° |
| C61 | N60 | C55 | C54 | 52.9° | 151.6° |
| N62 | C61 | N60 | C55 | 0.1° | 6.1° |
| N62 | C61 | N60 | H31 | 179.9° | 173.9° |
| C61 | N62 | C63 | H32 | 174.8° | 180.0° |
| C16 | C17 | O18 | H8 | 118.6° | 120.0° |
| C16 | C17 | C19 | H2 | 44.5° | 55.0° |
| C16 | C17 | O18 | H9 | 54.9° | 55.4° |
| C17 | C16 | H10 | H11 | 119.3° | 120.0° |
| N60 | C55 | C56 | C54 | 177.4° | 180.0° |
| N60 | C55 | C56 | C51 | 172.4° | 180.0° |
| N60 | C55 | C54 | C53 | 175.6° | 180.0° |
| N60 | C55 | C54 | C57 | 4.1° | 0.0° |
| N60 | C55 | C56 | H25 | 7.6° | 0.0° |
| N20 | C21 | C51 | C56 | 141.4° | 180.0° |
| N20 | C21 | C51 | C52 | 49.4° | 0.3° |
| C21 | N20 | C19 | H2 | 17.0° | 35.0° |
| C21 | C51 | C56 | C55 | 175.6° | 180.0° |
| C21 | C51 | C56 | C52 | 169.5° | 179.7° |
| C21 | C51 | C52 | C53 | 172.7° | 179.8° |
| C51 | C21 | N20 | H1 | 6.7° | 0.3° |
| C21 | C51 | C56 | H25 | 4.4° | 0.0° |
| C21 | C51 | C52 | H30 | 7.3° | 0.0° |
| C55 | C56 | C51 | H25 | 180.0° | 180.0° |
| C55 | C56 | C51 | C52 | 6.1° | 0.2° |
| C56 | C55 | C54 | C53 | 1.6° | 0.1° |
| C56 | C55 | C54 | C57 | 178.7° | 180.0° |
| C56 | C55 | N60 | H31 | 55.6° | 151.6° |
| C51 | C56 | C55 | C54 | 5.1° | 0.0° |
| C56 | C51 | C52 | C53 | 3.8° | 0.5° |
| C56 | C51 | C52 | H30 | 176.2° | 179.7° |
| N62 | C63 | C64 | H33 | 179.0° | 179.9° |
| O18 | C17 | C19 | H2 | 169.3° | 175.0° |
| O18 | C17 | C16 | H10 | 51.1° | 174.3° |
| O18 | C17 | C16 | H11 | 68.5° | 54.3° |
| C12 | C13 | C14 | C15 | 119.4° | 120.0° |
| C12 | C13 | C14 | H14 | 119.1° | 120.0° |
| C12 | C13 | C15 | H14 | 116.9° | 120.0° |
| C13 | C12 | H12 | H13 | 119.2° | 120.0° |
| C12 | C13 | C14 | H15 | 180.0° | 60.0° |
| C12 | C13 | C14 | H16 | 60.0° | 180.0° |
| C12 | C13 | C14 | H17 | 60.0° | 60.0° |
| C12 | C13 | C15 | H18 | 180.0° | 52.2° |
| C12 | C13 | C15 | H19 | 60.0° | 67.8° |
| C12 | C13 | C15 | H20 | 60.0° | 172.1° |
| C55 | C54 | C53 | C52 | 0.8° | 0.2° |
| C55 | C54 | C53 | C57 | 179.7° | 179.9° |
| C54 | C55 | C56 | H25 | 174.9° | 180.0° |
| C55 | C54 | C57 | H26 | 90.2° | 90.0° |
| C55 | C54 | C57 | H27 | 149.8° | 150.0° |
| C55 | C54 | C57 | H28 | 29.9° | 30.0° |
| C55 | C54 | C53 | H29 | 179.2° | 180.0° |
| C54 | C55 | N60 | H31 | 127.0° | 28.4° |
| C51 | C52 | C53 | H30 | 180.0° | 179.8° |
| C51 | C52 | C53 | C54 | 0.3° | 0.5° |
| C52 | C51 | C56 | H25 | 173.9° | 179.7° |
| C51 | C52 | C53 | H29 | 179.7° | 179.8° |
| C14 | C13 | C15 | H14 | 121.3° | 120.0° |
| C14 | C13 | C12 | H12 | 57.4° | 54.2° |
| C14 | C13 | C12 | H13 | 176.9° | 65.8° |
| C13 | C14 | H15 | H16 | 120.0° | 119.9° |
| C13 | C14 | H15 | H17 | 120.0° | 120.0° |
| C13 | C14 | H16 | H17 | 120.0° | 120.0° |
| C14 | C13 | C15 | H18 | 58.2° | 67.9° |
| C14 | C13 | C15 | H19 | 61.8° | 172.1° |
| C14 | C13 | C15 | H20 | 178.2° | 52.1° |
| C15 | C13 | C12 | H12 | 65.9° | 174.2° |
| C15 | C13 | C12 | H13 | 53.5° | 54.2° |
| C15 | C13 | C14 | H15 | 60.6° | 60.0° |
| C15 | C13 | C14 | H16 | 179.3° | 59.9° |
| C15 | C13 | C14 | H17 | 59.4° | 180.0° |
| C13 | C15 | H18 | H19 | 120.0° | 120.0° |
| C13 | C15 | H18 | H20 | 120.0° | 120.0° |
| C13 | C15 | H19 | H20 | 120.0° | 120.0° |
| C52 | C53 | C54 | H29 | 180.0° | 179.8° |
| C52 | C53 | C54 | C57 | 178.9° | 179.7° |
| C53 | C54 | C57 | H26 | 90.1° | 89.9° |
| C53 | C54 | C57 | H27 | 29.9° | 30.0° |
| C53 | C54 | C57 | H28 | 149.8° | 150.1° |
| C54 | C53 | C52 | H30 | 179.7° | 179.8° |
| C54 | C57 | H26 | H27 | 120.0° | 119.9° |
| C54 | C57 | H26 | H28 | 120.0° | 120.0° |
| C54 | C57 | H27 | H28 | 120.0° | 120.0° |
| C57 | C54 | C53 | H29 | 1.1° | 0.0° |
| H1 | N20 | C19 | H2 | 163.1° | 145.0° |
| H2 | C19 | C32 | H3 | 58.5° | 175.0° |
| H2 | C19 | C32 | H4 | 178.8° | 65.0° |
| H2 | C19 | C17 | H8 | 73.1° | 65.0° |
| H8 | C17 | O18 | H9 | 63.6° | 175.5° |
| H8 | C17 | C16 | H10 | 68.5° | 65.7° |
| H8 | C17 | C16 | H11 | 172.0° | 174.3° |
| H12 | C12 | C13 | H14 | 176.7° | 65.9° |
| H13 | C12 | C13 | H14 | 63.8° | 174.2° |
| H14 | C13 | C14 | H15 | 60.9° | 180.0° |
| H14 | C13 | C14 | H16 | 59.1° | 60.0° |
| H14 | C13 | C14 | H17 | 179.1° | 60.0° |
| H14 | C13 | C15 | H18 | 63.1° | 172.1° |
| H14 | C13 | C15 | H19 | 176.9° | 52.1° |
| H14 | C13 | C15 | H20 | 56.9° | 67.9° |
| H15 | C14 | H16 | H17 | 120.0° | 120.1° |
| H18 | C15 | H19 | H20 | 120.0° | 120.0° |
| H21 | C6 | C7 | H22 | 1.8° | 0.1° |
| H23 | C3 | C4 | H24 | 3.9° | 0.3° |
| H26 | C57 | H27 | H28 | 120.0° | 120.1° |
| H29 | C53 | C52 | H30 | 0.3° | 0.0° |
| H32 | C63 | C64 | H33 | 1.0° | 0.1° |
| H35 | C74 | C75 | H36 | 0.3° | 0.0° |
| H36 | C75 | C76 | H37 | 0.7° | 0.3° |
| H38 | C40 | H39 | H40 | 120.0° | 120.0° |
