GA8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C52 | C50 | sing | 1.53Å | 1.54Å | |
| C53 | C50 | sing | 1.53Å | 1.53Å | |
| C51 | C50 | sing | 1.53Å | 1.52Å | |
| C50 | O49 | sing | 1.45Å | 1.40Å | |
| C36 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| O49 | C47 | sing | 1.35Å | 1.36Å | |
| C34 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| O48 | C47 | doub | 1.22Å | 1.23Å | |
| O39 | C2 | sing | 1.36Å | 1.36Å | |
| O39 | C40 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C47 | N46 | sing | 1.35Å | 1.35Å | |
| C33 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C38 | C32 | sing | 1.51Å | 1.53Å | |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| O9 | S8 | doub | 1.42Å | 1.48Å | |
| C7 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | S8 | sing | 1.76Å | 1.77Å | |
| C32 | C19 | sing | 1.53Å | 1.54Å | |
| N46 | C45 | sing | 1.47Å | 1.47Å | |
| S8 | O10 | doub | 1.42Å | 1.49Å | |
| S8 | N11 | sing | 1.66Å | 1.64Å | |
| C19 | N20 | sing | 1.47Å | 1.48Å | |
| C19 | C17 | sing | 1.53Å | 1.53Å | |
| C45 | C44 | sing | 1.52Å | 1.54Å | |
| C45 | C27 | sing | 1.50Å | 1.40Å | |
| N11 | C16 | sing | 1.46Å | 1.44Å | |
| N11 | C12 | sing | 1.46Å | 1.45Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C44 | C43 | sing | 1.53Å | 1.51Å | |
| C28 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | C23 | sing | 1.39Å | 1.42Å | Aromatic |
| N20 | C21 | sing | 1.35Å | 1.32Å | |
| C17 | O18 | sing | 1.43Å | 1.44Å | |
| O22 | C21 | doub | 1.22Å | 1.26Å | |
| C21 | C23 | sing | 1.47Å | 1.40Å | |
| C27 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C43 | S42 | sing | 1.82Å | 1.78Å | |
| C26 | S42 | sing | 1.76Å | 1.75Å | |
| C26 | C25 | doub | 1.40Å | 1.41Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.37Å | 1.38Å | Aromatic |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C40 | H1 | sing | 1.09Å | 1.10Å | |
| C40 | H2 | sing | 1.09Å | 1.10Å | |
| C40 | H3 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C24 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| C28 | H25 | sing | 1.08Å | 1.08Å | |
| C43 | H26 | sing | 1.09Å | 1.10Å | |
| C43 | H27 | sing | 1.09Å | 1.10Å | |
| C44 | H28 | sing | 1.09Å | 1.10Å | |
| C44 | H29 | sing | 1.09Å | 1.10Å | |
| C45 | H30 | sing | 1.09Å | 1.10Å | |
| N46 | H31 | sing | 0.97Å | 1.00Å | |
| C53 | H32 | sing | 1.09Å | 1.10Å | |
| C53 | H33 | sing | 1.09Å | 1.10Å | |
| C53 | H34 | sing | 1.09Å | 1.10Å | |
| C51 | H35 | sing | 1.09Å | 1.10Å | |
| C51 | H36 | sing | 1.09Å | 1.10Å | |
| C51 | H37 | sing | 1.09Å | 1.10Å | |
| C52 | H38 | sing | 1.09Å | 1.10Å | |
| C52 | H39 | sing | 1.09Å | 1.10Å | |
| C52 | H40 | sing | 1.09Å | 1.10Å | |
| C32 | H41 | sing | 1.09Å | 1.10Å | |
| C32 | H42 | sing | 1.09Å | 1.10Å | |
| C33 | H43 | sing | 1.08Å | 1.08Å | |
| C34 | H44 | sing | 1.08Å | 1.08Å | |
| C35 | H45 | sing | 1.08Å | 1.08Å | |
| C36 | H46 | sing | 1.08Å | 1.08Å | |
| C37 | H47 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C52 | C50 | C53 | 109.4° | 109.4° |
| C52 | C50 | C51 | 111.9° | 109.5° |
| C52 | C50 | O49 | 102.7° | 109.5° |
| C50 | C52 | H38 | 109.5° | 109.5° |
| C50 | C52 | H39 | 109.4° | 109.5° |
| C50 | C52 | H40 | 109.5° | 109.4° |
| C53 | C50 | C51 | 112.9° | 109.5° |
| C53 | C50 | O49 | 108.4° | 109.5° |
| C50 | C53 | H32 | 109.5° | 109.5° |
| C50 | C53 | H33 | 109.4° | 109.5° |
| C50 | C53 | H34 | 109.5° | 109.5° |
| C51 | C50 | O49 | 111.1° | 109.5° |
| C50 | C51 | H35 | 109.5° | 109.5° |
| C50 | C51 | H36 | 109.5° | 109.5° |
| C50 | C51 | H37 | 109.4° | 109.5° |
| C50 | O49 | C47 | 123.7° | 117.0° |
| C35 | C36 | C37 | 119.6° | 120.0° |
| C36 | C35 | C34 | 119.5° | 120.0° |
| C36 | C35 | H45 | 120.3° | 120.0° |
| C35 | C36 | H46 | 120.2° | 120.0° |
| C36 | C37 | C38 | 120.7° | 119.9° |
| C37 | C36 | H46 | 120.2° | 120.0° |
| C36 | C37 | H47 | 119.7° | 120.0° |
| C35 | C34 | C33 | 121.6° | 120.0° |
| C35 | C34 | H44 | 119.2° | 119.9° |
| C34 | C35 | H45 | 120.3° | 120.0° |
| O49 | C47 | O48 | 123.4° | 120.0° |
| O49 | C47 | N46 | 115.1° | 120.0° |
| C34 | C33 | C38 | 118.7° | 120.0° |
| C34 | C33 | H43 | 120.6° | 120.0° |
| C33 | C34 | H44 | 119.2° | 120.0° |
| C37 | C38 | C33 | 119.8° | 120.1° |
| C37 | C38 | C32 | 121.9° | 120.0° |
| C38 | C37 | H47 | 119.6° | 120.1° |
| O48 | C47 | N46 | 121.5° | 120.0° |
| C2 | O39 | C40 | 114.3° | 117.0° |
| O39 | C2 | C3 | 116.4° | 120.1° |
| O39 | C2 | C7 | 121.7° | 120.1° |
| O39 | C40 | H1 | 109.5° | 109.5° |
| O39 | C40 | H2 | 109.4° | 109.5° |
| O39 | C40 | H3 | 109.5° | 109.5° |
| C4 | C3 | C2 | 120.0° | 120.0° |
| C3 | C4 | C5 | 119.0° | 120.0° |
| C4 | C3 | H4 | 120.0° | 120.0° |
| C3 | C4 | H5 | 120.5° | 120.0° |
| C3 | C2 | C7 | 121.3° | 119.9° |
| C2 | C3 | H4 | 120.0° | 120.0° |
| C47 | N46 | C45 | 129.4° | 120.0° |
| C47 | N46 | H31 | 115.3° | 120.0° |
| C33 | C38 | C32 | 118.3° | 120.0° |
| C38 | C33 | H43 | 120.7° | 120.0° |
| C38 | C32 | C19 | 110.2° | 109.5° |
| C38 | C32 | H41 | 109.3° | 109.5° |
| C38 | C32 | H42 | 109.3° | 109.5° |
| C4 | C5 | C6 | 120.4° | 120.1° |
| C4 | C5 | S8 | 118.3° | 119.9° |
| C5 | C4 | H5 | 120.5° | 120.0° |
| C2 | C7 | C6 | 117.3° | 120.0° |
| C2 | C7 | H7 | 121.3° | 120.0° |
| O9 | S8 | C5 | 106.7° | 106.4° |
| O9 | S8 | O10 | 118.8° | 123.2° |
| O9 | S8 | N11 | 108.3° | 106.4° |
| C7 | C6 | C5 | 121.2° | 120.1° |
| C7 | C6 | H6 | 119.4° | 120.0° |
| C6 | C7 | H7 | 121.3° | 120.0° |
| C6 | C5 | S8 | 121.2° | 119.9° |
| C5 | C6 | H6 | 119.4° | 120.0° |
| C5 | S8 | O10 | 104.1° | 106.4° |
| C5 | S8 | N11 | 108.6° | 107.2° |
| C32 | C19 | N20 | 107.1° | 109.5° |
| C32 | C19 | C17 | 113.8° | 109.5° |
| C32 | C19 | H21 | 108.2° | 109.5° |
| C19 | C32 | H41 | 109.3° | 109.4° |
| C19 | C32 | H42 | 109.3° | 109.5° |
| N46 | C45 | C44 | 104.9° | 108.7° |
| N46 | C45 | C27 | 109.0° | 108.6° |
| N46 | C45 | H30 | 109.3° | 108.5° |
| C45 | N46 | H31 | 115.3° | 120.0° |
| O10 | S8 | N11 | 109.9° | 106.4° |
| S8 | N11 | C16 | 119.4° | 120.0° |
| S8 | N11 | C12 | 113.9° | 120.0° |
| N20 | C19 | C17 | 110.3° | 109.4° |
| C19 | N20 | C21 | 125.5° | 120.0° |
| N20 | C19 | H21 | 109.0° | 109.4° |
| C19 | N20 | H22 | 117.3° | 120.0° |
| C19 | C17 | C16 | 115.3° | 109.4° |
| C19 | C17 | O18 | 110.3° | 109.5° |
| C19 | C17 | H19 | 107.2° | 109.5° |
| C17 | C19 | H21 | 108.3° | 109.5° |
| C44 | C45 | C27 | 114.7° | 113.6° |
| C45 | C44 | C43 | 110.5° | 109.0° |
| C45 | C44 | H28 | 109.2° | 109.5° |
| C45 | C44 | H29 | 109.2° | 109.6° |
| C44 | C45 | H30 | 108.4° | 108.7° |
| C45 | C27 | C28 | 120.3° | 116.3° |
| C45 | C27 | C26 | 121.8° | 124.7° |
| C27 | C45 | H30 | 110.3° | 108.6° |
| C16 | N11 | C12 | 118.4° | 120.0° |
| N11 | C16 | C17 | 113.4° | 109.5° |
| N11 | C16 | H17 | 108.5° | 109.5° |
| N11 | C16 | H18 | 108.5° | 109.5° |
| N11 | C12 | C13 | 113.3° | 109.5° |
| N11 | C12 | H8 | 108.5° | 109.4° |
| N11 | C12 | H9 | 108.5° | 109.5° |
| C16 | C17 | O18 | 108.4° | 109.5° |
| C17 | C16 | H17 | 108.5° | 109.5° |
| C17 | C16 | H18 | 108.5° | 109.5° |
| C16 | C17 | H19 | 107.1° | 109.5° |
| C44 | C43 | S42 | 108.8° | 107.3° |
| C44 | C43 | H26 | 109.6° | 109.9° |
| C44 | C43 | H27 | 109.7° | 110.0° |
| C43 | C44 | H28 | 109.2° | 109.6° |
| C43 | C44 | H29 | 109.2° | 109.6° |
| C27 | C28 | C23 | 122.1° | 121.1° |
| C28 | C27 | C26 | 117.7° | 119.0° |
| C27 | C28 | H25 | 119.0° | 119.4° |
| C28 | C23 | C21 | 123.3° | 120.2° |
| C28 | C23 | C24 | 118.0° | 119.7° |
| C23 | C28 | H25 | 119.0° | 119.4° |
| N20 | C21 | O22 | 118.1° | 120.0° |
| N20 | C21 | C23 | 118.6° | 120.0° |
| C21 | N20 | H22 | 117.3° | 120.0° |
| O18 | C17 | H19 | 108.2° | 109.5° |
| C17 | O18 | H20 | 109.5° | 114.0° |
| O22 | C21 | C23 | 123.3° | 120.0° |
| C21 | C23 | C24 | 118.6° | 120.2° |
| C27 | C26 | S42 | 125.1° | 122.2° |
| C27 | C26 | C25 | 120.2° | 120.2° |
| C23 | C24 | C25 | 120.6° | 119.3° |
| C23 | C24 | H23 | 119.7° | 120.3° |
| C12 | C13 | C14 | 114.5° | 109.5° |
| C12 | C13 | C15 | 108.5° | 109.5° |
| C13 | C12 | H8 | 108.5° | 109.4° |
| C13 | C12 | H9 | 108.5° | 109.5° |
| C12 | C13 | H10 | 107.8° | 109.5° |
| C43 | S42 | C26 | 103.2° | 102.7° |
| S42 | C43 | H26 | 109.6° | 109.9° |
| S42 | C43 | H27 | 109.6° | 109.9° |
| S42 | C26 | C25 | 114.7° | 117.6° |
| C26 | C25 | C24 | 121.0° | 120.7° |
| C26 | C25 | H24 | 119.5° | 119.6° |
| C14 | C13 | C15 | 110.3° | 109.4° |
| C14 | C13 | H10 | 107.8° | 109.5° |
| C13 | C14 | H11 | 109.5° | 109.4° |
| C13 | C14 | H12 | 109.5° | 109.5° |
| C13 | C14 | H13 | 109.5° | 109.4° |
| C25 | C24 | H23 | 119.7° | 120.4° |
| C24 | C25 | H24 | 119.5° | 119.6° |
| C15 | C13 | H10 | 107.7° | 109.4° |
| C13 | C15 | H14 | 109.5° | 109.5° |
| C13 | C15 | H15 | 109.5° | 109.4° |
| C13 | C15 | H16 | 109.5° | 109.5° |
| H1 | C40 | H2 | 109.5° | 109.5° |
| H1 | C40 | H3 | 109.5° | 109.5° |
| H2 | C40 | H3 | 109.5° | 109.4° |
| H8 | C12 | H9 | 109.5° | 109.4° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H11 | C14 | H13 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.4° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H14 | C15 | H16 | 109.4° | 109.5° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H17 | C16 | H18 | 109.5° | 109.4° |
| H26 | C43 | H27 | 109.5° | 109.9° |
| H28 | C44 | H29 | 109.5° | 109.5° |
| H32 | C53 | H33 | 109.5° | 109.5° |
| H32 | C53 | H34 | 109.5° | 109.4° |
| H33 | C53 | H34 | 109.4° | 109.5° |
| H35 | C51 | H36 | 109.4° | 109.4° |
| H35 | C51 | H37 | 109.5° | 109.5° |
| H36 | C51 | H37 | 109.5° | 109.5° |
| H38 | C52 | H39 | 109.5° | 109.5° |
| H38 | C52 | H40 | 109.5° | 109.5° |
| H39 | C52 | H40 | 109.5° | 109.5° |
| H41 | C32 | H42 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C52 | C50 | C53 | C51 | 125.3° | 120.0° |
| C52 | C50 | C53 | O49 | 111.2° | 120.0° |
| C52 | C50 | C51 | O49 | 114.1° | 120.0° |
| C52 | C50 | O49 | C47 | 172.9° | 59.9° |
| C52 | C50 | C53 | H32 | 180.0° | 180.0° |
| C52 | C50 | C53 | H33 | 60.0° | 60.1° |
| C52 | C50 | C53 | H34 | 60.0° | 60.0° |
| C52 | C50 | C51 | H35 | 180.0° | 60.0° |
| C52 | C50 | C51 | H36 | 60.0° | 60.0° |
| C52 | C50 | C51 | H37 | 60.0° | 180.0° |
| C50 | C52 | H38 | H39 | 120.0° | 120.0° |
| C50 | C52 | H38 | H40 | 120.0° | 120.0° |
| C50 | C52 | H39 | H40 | 120.0° | 119.9° |
| C53 | C50 | C51 | O49 | 122.0° | 120.0° |
| C53 | C50 | O49 | C47 | 57.3° | 60.0° |
| C50 | C53 | H32 | H33 | 120.0° | 120.0° |
| C50 | C53 | H32 | H34 | 120.0° | 120.0° |
| C50 | C53 | H33 | H34 | 119.9° | 120.0° |
| C53 | C50 | C51 | H35 | 56.1° | 180.0° |
| C53 | C50 | C51 | H36 | 63.9° | 60.0° |
| C53 | C50 | C51 | H37 | 176.1° | 60.0° |
| C53 | C50 | C52 | H38 | 180.0° | 60.0° |
| C53 | C50 | C52 | H39 | 60.0° | 60.0° |
| C53 | C50 | C52 | H40 | 60.0° | 180.0° |
| C51 | C50 | O49 | C47 | 67.3° | 180.0° |
| C51 | C50 | C53 | H32 | 54.7° | 60.0° |
| C51 | C50 | C53 | H33 | 174.7° | 60.0° |
| C51 | C50 | C53 | H34 | 65.3° | 180.0° |
| C50 | C51 | H35 | H36 | 120.0° | 120.0° |
| C50 | C51 | H35 | H37 | 120.0° | 120.0° |
| C50 | C51 | H36 | H37 | 120.0° | 120.0° |
| C51 | C50 | C52 | H38 | 54.1° | 180.0° |
| C51 | C50 | C52 | H39 | 65.9° | 60.0° |
| C51 | C50 | C52 | H40 | 174.2° | 60.0° |
| C50 | O49 | C47 | O48 | 0.7° | 0.1° |
| C50 | O49 | C47 | N46 | 178.1° | 180.0° |
| O49 | C50 | C53 | H32 | 68.8° | 60.0° |
| O49 | C50 | C53 | H33 | 51.2° | 180.0° |
| O49 | C50 | C53 | H34 | 171.2° | 60.0° |
| O49 | C50 | C51 | H35 | 65.9° | 60.0° |
| O49 | C50 | C51 | H36 | 174.1° | 180.0° |
| O49 | C50 | C51 | H37 | 54.1° | 60.0° |
| O49 | C50 | C52 | H38 | 65.0° | 60.0° |
| O49 | C50 | C52 | H39 | 175.0° | 180.0° |
| O49 | C50 | C52 | H40 | 55.0° | 60.0° |
| C35 | C36 | C37 | H46 | 180.0° | 180.0° |
| C36 | C35 | C34 | H45 | 180.0° | 180.0° |
| C36 | C35 | C34 | C33 | 0.2° | 0.0° |
| C35 | C36 | C37 | C38 | 1.8° | 0.0° |
| C36 | C35 | C34 | H44 | 179.8° | 180.0° |
| C35 | C36 | C37 | H47 | 178.2° | 180.0° |
| C37 | C36 | C35 | C34 | 2.8° | 0.0° |
| C36 | C37 | C38 | H47 | 180.0° | 180.0° |
| C36 | C37 | C38 | C33 | 2.0° | 0.0° |
| C36 | C37 | C38 | C32 | 175.4° | 179.8° |
| C37 | C36 | C35 | H45 | 177.2° | 180.0° |
| C35 | C34 | C33 | H44 | 180.0° | 180.0° |
| C35 | C34 | C33 | C38 | 3.5° | 0.0° |
| C35 | C34 | C33 | H43 | 176.5° | 179.8° |
| C34 | C35 | C36 | H46 | 177.1° | 180.0° |
| O49 | C47 | O48 | N46 | 178.7° | 179.9° |
| O49 | C47 | N46 | C45 | 165.7° | 180.0° |
| O49 | C47 | N46 | H31 | 14.3° | 0.1° |
| C34 | C33 | C38 | C37 | 4.5° | 0.0° |
| C34 | C33 | C38 | H43 | 180.0° | 179.8° |
| C34 | C33 | C38 | C32 | 172.9° | 179.8° |
| C33 | C34 | C35 | H45 | 179.8° | 180.0° |
| C37 | C38 | C33 | C32 | 177.4° | 179.7° |
| C37 | C38 | C32 | C19 | 71.6° | 90.3° |
| C37 | C38 | C32 | H41 | 48.6° | 149.7° |
| C37 | C38 | C32 | H42 | 168.3° | 29.8° |
| C37 | C38 | C33 | H43 | 175.5° | 179.8° |
| C38 | C37 | C36 | H46 | 178.2° | 179.9° |
| O48 | C47 | N46 | C45 | 15.5° | 0.1° |
| O48 | C47 | N46 | H31 | 164.5° | 180.0° |
| O39 | C2 | C3 | C4 | 177.9° | 180.0° |
| O39 | C2 | C3 | C7 | 171.2° | 179.8° |
| O39 | C2 | C7 | C6 | 179.9° | 179.7° |
| C2 | O39 | C40 | H1 | 180.0° | 60.0° |
| C2 | O39 | C40 | H2 | 60.0° | 60.0° |
| C2 | O39 | C40 | H3 | 60.0° | 180.0° |
| O39 | C2 | C3 | H4 | 2.1° | 0.0° |
| O39 | C2 | C7 | H7 | 0.1° | 0.1° |
| C40 | O39 | C2 | C3 | 173.9° | 0.2° |
| C40 | O39 | C2 | C7 | 15.0° | 180.0° |
| O39 | C40 | H1 | H2 | 120.0° | 120.0° |
| O39 | C40 | H1 | H3 | 120.0° | 120.0° |
| O39 | C40 | H2 | H3 | 120.0° | 120.0° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C4 | C3 | C2 | C7 | 6.7° | 0.2° |
| C3 | C4 | C5 | C6 | 6.1° | 0.0° |
| C3 | C4 | C5 | S8 | 176.2° | 180.0° |
| C2 | C3 | C4 | C5 | 1.2° | 0.1° |
| C3 | C2 | C7 | C6 | 9.4° | 0.5° |
| C2 | C3 | C4 | H5 | 178.8° | 179.9° |
| C3 | C2 | C7 | H7 | 170.6° | 179.8° |
| C47 | N46 | C45 | H31 | 180.0° | 179.9° |
| C47 | N46 | C45 | C44 | 71.7° | 85.0° |
| C47 | N46 | C45 | C27 | 165.0° | 151.0° |
| C47 | N46 | C45 | H30 | 44.3° | 33.1° |
| C33 | C38 | C32 | C19 | 105.8° | 90.0° |
| C33 | C38 | C32 | H41 | 134.1° | 30.0° |
| C33 | C38 | C32 | H42 | 14.3° | 150.0° |
| C38 | C33 | C34 | H44 | 176.5° | 180.0° |
| C33 | C38 | C37 | H47 | 178.0° | 180.0° |
| C38 | C32 | C19 | H41 | 120.1° | 120.0° |
| C38 | C32 | C19 | H42 | 120.1° | 120.0° |
| C38 | C32 | C19 | N20 | 59.5° | 65.0° |
| C38 | C32 | C19 | C17 | 178.3° | 175.0° |
| C38 | C32 | C19 | H21 | 57.8° | 55.0° |
| C38 | C32 | H41 | H42 | 119.6° | 120.0° |
| C32 | C38 | C33 | H43 | 7.1° | 0.0° |
| C32 | C38 | C37 | H47 | 4.6° | 0.3° |
| C4 | C5 | S8 | O9 | 30.5° | 149.9° |
| C4 | C5 | C6 | C7 | 3.2° | 0.3° |
| C4 | C5 | C6 | S8 | 177.7° | 180.0° |
| C4 | C5 | S8 | O10 | 157.0° | 17.0° |
| C4 | C5 | S8 | N11 | 86.0° | 96.6° |
| C5 | C4 | C3 | H4 | 178.8° | 180.0° |
| C4 | C5 | C6 | H6 | 176.8° | 180.0° |
| C2 | C7 | C6 | H7 | 180.0° | 179.6° |
| C2 | C7 | C6 | C5 | 4.5° | 0.6° |
| C7 | C2 | C3 | H4 | 173.3° | 179.7° |
| C2 | C7 | C6 | H6 | 175.6° | 179.7° |
| O9 | S8 | C5 | C6 | 147.2° | 30.2° |
| O9 | S8 | C5 | O10 | 126.5° | 132.9° |
| O9 | S8 | C5 | N11 | 116.5° | 113.5° |
| O9 | S8 | O10 | N11 | 125.4° | 123.0° |
| O9 | S8 | N11 | C16 | 26.1° | 29.5° |
| O9 | S8 | N11 | C12 | 174.1° | 150.5° |
| C7 | C6 | C5 | H6 | 180.0° | 179.7° |
| C7 | C6 | C5 | S8 | 179.1° | 179.7° |
| C6 | C5 | S8 | O10 | 20.7° | 163.0° |
| C6 | C5 | S8 | N11 | 96.3° | 83.4° |
| C6 | C5 | C4 | H5 | 174.0° | 180.0° |
| C5 | C6 | C7 | H7 | 175.5° | 179.8° |
| C5 | S8 | O10 | N11 | 116.2° | 114.1° |
| C5 | S8 | N11 | C16 | 89.4° | 84.1° |
| C5 | S8 | N11 | C12 | 58.6° | 95.9° |
| S8 | C5 | C4 | H5 | 3.8° | 0.0° |
| S8 | C5 | C6 | H6 | 0.9° | 0.0° |
| C32 | C19 | N20 | C17 | 124.3° | 120.1° |
| C32 | C19 | N20 | H21 | 116.8° | 120.0° |
| C32 | C19 | C17 | H21 | 120.4° | 120.1° |
| C32 | C19 | C17 | C16 | 73.2° | 65.0° |
| C32 | C19 | N20 | C21 | 132.0° | 85.0° |
| C32 | C19 | C17 | O18 | 50.0° | 55.0° |
| C32 | C19 | C17 | H19 | 167.7° | 175.0° |
| C32 | C19 | N20 | H22 | 48.0° | 95.0° |
| C19 | C32 | H41 | H42 | 119.7° | 119.9° |
| N46 | C45 | C44 | C27 | 119.5° | 121.0° |
| N46 | C45 | C44 | H30 | 116.7° | 117.9° |
| N46 | C45 | C27 | H30 | 120.0° | 117.9° |
| N46 | C45 | C44 | C43 | 176.9° | 178.4° |
| N46 | C45 | C27 | C28 | 43.0° | 37.1° |
| N46 | C45 | C27 | C26 | 142.8° | 144.3° |
| N46 | C45 | C44 | H28 | 56.7° | 61.8° |
| N46 | C45 | C44 | H29 | 63.0° | 58.4° |
| O10 | S8 | N11 | C16 | 157.3° | 162.4° |
| O10 | S8 | N11 | C12 | 54.7° | 17.6° |
| S8 | N11 | C16 | C12 | 146.5° | 180.0° |
| S8 | N11 | C16 | C17 | 109.1° | 95.0° |
| S8 | N11 | C12 | C13 | 135.9° | 114.3° |
| S8 | N11 | C12 | H8 | 15.4° | 125.8° |
| S8 | N11 | C12 | H9 | 103.5° | 5.8° |
| S8 | N11 | C16 | H17 | 130.3° | 145.0° |
| S8 | N11 | C16 | H18 | 11.5° | 25.0° |
| N20 | C19 | C17 | H21 | 119.2° | 119.9° |
| N20 | C19 | C17 | C16 | 166.5° | 175.0° |
| C19 | N20 | C21 | H22 | 180.0° | 180.0° |
| N20 | C19 | C17 | O18 | 70.4° | 65.0° |
| C19 | N20 | C21 | O22 | 9.0° | 0.0° |
| C19 | N20 | C21 | C23 | 170.9° | 180.0° |
| N20 | C19 | C17 | H19 | 47.3° | 55.0° |
| N20 | C19 | C32 | H41 | 179.6° | 55.0° |
| N20 | C19 | C32 | H42 | 60.6° | 175.0° |
| C19 | C17 | C16 | N11 | 68.7° | 175.0° |
| C19 | C17 | C16 | O18 | 124.2° | 120.0° |
| C19 | C17 | C16 | H19 | 119.2° | 120.0° |
| C17 | C19 | N20 | C21 | 103.7° | 155.0° |
| C19 | C17 | O18 | H19 | 117.0° | 120.1° |
| C19 | C17 | C16 | H17 | 170.7° | 64.9° |
| C19 | C17 | C16 | H18 | 51.9° | 55.0° |
| C19 | C17 | O18 | H20 | 180.0° | 60.0° |
| C17 | C19 | N20 | H22 | 76.3° | 25.0° |
| C17 | C19 | C32 | H41 | 58.2° | 65.0° |
| C17 | C19 | C32 | H42 | 61.6° | 55.0° |
| C44 | C45 | C27 | H30 | 122.8° | 121.1° |
| C45 | C44 | C43 | H28 | 120.2° | 119.8° |
| C45 | C44 | C43 | H29 | 120.1° | 120.0° |
| C44 | C45 | C27 | C28 | 160.2° | 158.1° |
| C44 | C45 | C27 | C26 | 25.6° | 23.2° |
| C45 | C44 | C43 | S42 | 66.8° | 72.7° |
| C45 | C44 | C43 | H26 | 53.1° | 167.8° |
| C45 | C44 | C43 | H27 | 173.3° | 46.8° |
| C45 | C44 | H28 | H29 | 119.5° | 120.3° |
| C44 | C45 | N46 | H31 | 108.3° | 95.0° |
| C27 | C45 | C44 | C43 | 63.6° | 60.6° |
| C45 | C27 | C28 | C26 | 174.4° | 178.7° |
| C45 | C27 | C28 | C23 | 177.5° | 178.7° |
| C45 | C27 | C26 | S42 | 2.9° | 1.9° |
| C45 | C27 | C26 | C25 | 178.7° | 178.1° |
| C45 | C27 | C28 | H25 | 2.5° | 1.9° |
| C27 | C45 | C44 | H28 | 176.2° | 59.3° |
| C27 | C45 | C44 | H29 | 56.5° | 179.5° |
| C27 | C45 | N46 | H31 | 15.0° | 29.0° |
| N11 | C16 | C17 | H17 | 120.6° | 120.1° |
| N11 | C16 | C17 | H18 | 120.6° | 120.0° |
| N11 | C16 | C17 | O18 | 167.1° | 65.0° |
| C16 | N11 | C12 | C13 | 75.8° | 65.7° |
| C16 | N11 | C12 | H8 | 163.7° | 54.2° |
| C16 | N11 | C12 | H9 | 44.8° | 174.2° |
| N11 | C16 | H17 | H18 | 118.2° | 120.0° |
| N11 | C16 | C17 | H19 | 50.5° | 55.0° |
| C12 | N11 | C16 | C17 | 104.4° | 85.0° |
| N11 | C12 | C13 | H8 | 120.6° | 120.0° |
| N11 | C12 | C13 | H9 | 120.6° | 120.1° |
| N11 | C12 | C13 | C14 | 61.1° | 176.6° |
| N11 | C12 | C13 | C15 | 175.3° | 63.4° |
| N11 | C12 | H8 | H9 | 118.3° | 120.0° |
| N11 | C12 | C13 | H10 | 58.9° | 56.5° |
| C12 | N11 | C16 | H17 | 16.2° | 35.0° |
| C12 | N11 | C16 | H18 | 135.1° | 155.0° |
| C16 | C17 | O18 | H19 | 115.9° | 120.0° |
| C17 | C16 | H17 | H18 | 118.2° | 120.0° |
| C16 | C17 | O18 | H20 | 52.9° | 60.0° |
| C16 | C17 | C19 | H21 | 47.3° | 55.1° |
| C44 | C43 | S42 | H26 | 119.9° | 119.5° |
| C44 | C43 | S42 | H27 | 119.9° | 119.5° |
| C44 | C43 | S42 | C26 | 35.8° | 46.5° |
| C44 | C43 | H26 | H27 | 120.3° | 121.1° |
| C43 | C44 | H28 | H29 | 119.5° | 120.2° |
| C43 | C44 | C45 | H30 | 60.1° | 60.5° |
| C27 | C28 | C23 | H25 | 180.0° | 179.3° |
| C27 | C28 | C23 | C21 | 174.6° | 179.8° |
| C27 | C28 | C23 | C24 | 5.2° | 0.6° |
| C28 | C27 | C26 | S42 | 171.4° | 179.5° |
| C28 | C27 | C26 | C25 | 7.0° | 0.5° |
| C28 | C27 | C45 | H30 | 77.0° | 80.8° |
| C28 | C23 | C21 | N20 | 65.2° | 179.7° |
| C28 | C23 | C21 | O22 | 114.8° | 0.3° |
| C28 | C23 | C21 | C24 | 179.8° | 179.6° |
| C23 | C28 | C27 | C26 | 8.1° | 0.0° |
| C28 | C23 | C24 | C25 | 1.1° | 0.7° |
| C28 | C23 | C24 | H23 | 178.9° | 179.4° |
| N20 | C21 | O22 | C23 | 179.9° | 180.0° |
| N20 | C21 | C23 | C24 | 115.1° | 0.0° |
| C21 | N20 | C19 | H21 | 15.1° | 35.0° |
| O18 | C17 | C16 | H17 | 46.5° | 55.0° |
| O18 | C17 | C16 | H18 | 72.3° | 175.0° |
| O18 | C17 | C19 | H21 | 170.4° | 175.0° |
| O22 | C21 | C23 | C24 | 65.0° | 180.0° |
| O22 | C21 | N20 | H22 | 171.0° | 180.0° |
| C21 | C23 | C24 | C25 | 178.7° | 179.7° |
| C23 | C21 | N20 | H22 | 9.1° | 0.0° |
| C21 | C23 | C24 | H23 | 1.3° | 0.2° |
| C21 | C23 | C28 | H25 | 5.4° | 0.4° |
| C27 | C26 | S42 | C43 | 2.6° | 13.5° |
| C27 | C26 | S42 | C25 | 178.5° | 180.0° |
| C27 | C26 | C25 | C24 | 3.2° | 0.4° |
| C27 | C26 | C25 | H24 | 176.7° | 179.6° |
| C26 | C27 | C28 | H25 | 171.9° | 179.3° |
| C26 | C27 | C45 | H30 | 97.1° | 97.8° |
| C23 | C24 | C25 | C26 | 0.2° | 0.2° |
| C23 | C24 | C25 | H23 | 180.0° | 179.9° |
| C23 | C24 | C25 | H24 | 179.8° | 179.8° |
| C24 | C23 | C28 | H25 | 174.8° | 179.9° |
| C12 | C13 | C14 | C15 | 122.7° | 120.0° |
| C12 | C13 | C14 | H10 | 120.0° | 120.1° |
| C12 | C13 | C15 | H10 | 116.5° | 120.0° |
| C13 | C12 | H8 | H9 | 118.2° | 120.0° |
| C12 | C13 | C14 | H11 | 180.0° | 59.9° |
| C12 | C13 | C14 | H12 | 60.0° | 180.0° |
| C12 | C13 | C14 | H13 | 60.0° | 60.0° |
| C12 | C13 | C15 | H14 | 180.0° | 52.3° |
| C12 | C13 | C15 | H15 | 60.0° | 67.7° |
| C12 | C13 | C15 | H16 | 60.0° | 172.3° |
| C43 | S42 | C26 | C25 | 175.9° | 166.6° |
| S42 | C43 | H26 | H27 | 120.3° | 121.0° |
| S42 | C43 | C44 | H28 | 173.1° | 47.1° |
| S42 | C43 | C44 | H29 | 53.4° | 167.3° |
| S42 | C26 | C25 | C24 | 175.4° | 179.5° |
| S42 | C26 | C25 | H24 | 4.6° | 0.4° |
| C26 | S42 | C43 | H26 | 84.1° | 166.0° |
| C26 | S42 | C43 | H27 | 155.8° | 73.0° |
| C26 | C25 | C24 | H24 | 180.0° | 179.9° |
| C26 | C25 | C24 | H23 | 179.8° | 179.9° |
| C14 | C13 | C15 | H10 | 117.4° | 119.9° |
| C14 | C13 | C12 | H8 | 59.5° | 56.6° |
| C14 | C13 | C12 | H9 | 178.3° | 63.3° |
| C13 | C14 | H11 | H12 | 120.0° | 120.0° |
| C13 | C14 | H11 | H13 | 120.0° | 119.9° |
| C13 | C14 | H12 | H13 | 120.0° | 119.9° |
| C14 | C13 | C15 | H14 | 53.9° | 67.8° |
| C14 | C13 | C15 | H15 | 66.1° | 172.3° |
| C14 | C13 | C15 | H16 | 173.9° | 52.2° |
| C15 | C13 | C12 | H8 | 64.2° | 176.6° |
| C15 | C13 | C12 | H9 | 54.7° | 56.7° |
| C15 | C13 | C14 | H11 | 57.3° | 60.1° |
| C15 | C13 | C14 | H12 | 177.3° | 60.0° |
| C15 | C13 | C14 | H13 | 62.7° | 180.0° |
| C13 | C15 | H14 | H15 | 120.0° | 119.9° |
| C13 | C15 | H14 | H16 | 120.0° | 120.1° |
| C13 | C15 | H15 | H16 | 120.0° | 120.0° |
| H1 | C40 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | C4 | H5 | 1.2° | 0.1° |
| H6 | C6 | C7 | H7 | 4.4° | 0.1° |
| H8 | C12 | C13 | H10 | 179.4° | 63.4° |
| H9 | C12 | C13 | H10 | 61.7° | 176.6° |
| H10 | C13 | C14 | H11 | 60.0° | 180.0° |
| H10 | C13 | C14 | H12 | 60.0° | 59.9° |
| H10 | C13 | C14 | H13 | 179.9° | 60.1° |
| H10 | C13 | C15 | H14 | 63.5° | 172.3° |
| H10 | C13 | C15 | H15 | 176.5° | 52.3° |
| H10 | C13 | C15 | H16 | 56.5° | 67.7° |
| H11 | C14 | H12 | H13 | 120.0° | 120.1° |
| H14 | C15 | H15 | H16 | 120.0° | 120.0° |
| H17 | C16 | C17 | H19 | 70.1° | 175.0° |
| H18 | C16 | C17 | H19 | 171.1° | 65.0° |
| H19 | C17 | O18 | H20 | 63.0° | 180.0° |
| H19 | C17 | C19 | H21 | 71.9° | 64.9° |
| H21 | C19 | N20 | H22 | 164.9° | 145.0° |
| H21 | C19 | C32 | H41 | 62.3° | 175.0° |
| H21 | C19 | C32 | H42 | 177.9° | 65.1° |
| H23 | C24 | C25 | H24 | 0.2° | 0.2° |
| H26 | C43 | C44 | H28 | 67.0° | 72.4° |
| H26 | C43 | C44 | H29 | 173.3° | 47.8° |
| H27 | C43 | C44 | H28 | 53.2° | 166.6° |
| H27 | C43 | C44 | H29 | 66.5° | 73.2° |
| H28 | C44 | C45 | H30 | 60.0° | 179.7° |
| H29 | C44 | C45 | H30 | 179.7° | 59.5° |
| H30 | C45 | N46 | H31 | 135.7° | 147.0° |
| H32 | C53 | H33 | H34 | 120.0° | 120.0° |
| H35 | C51 | H36 | H37 | 120.0° | 120.0° |
| H38 | C52 | H39 | H40 | 120.0° | 120.0° |
| H43 | C33 | C34 | H44 | 3.5° | 0.2° |
| H44 | C34 | C35 | H45 | 0.2° | 0.0° |
| H45 | C35 | C36 | H46 | 2.9° | 0.1° |
| H46 | C36 | C37 | H47 | 1.8° | 0.0° |
