G8R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C41 | C26 | sing | 1.55Å | 1.44Å | |
| C41 | C25 | sing | 1.54Å | 1.50Å | |
| C41 | O42 | sing | 1.44Å | 1.38Å | |
| C26 | C27 | sing | 1.54Å | 1.46Å | |
| C15 | C13 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.52Å | 1.57Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| O42 | C28 | sing | 1.43Å | 1.43Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C24 | O23 | sing | 1.45Å | 1.41Å | |
| C24 | C31 | sing | 1.53Å | 1.51Å | |
| C27 | C28 | sing | 1.56Å | 1.50Å | |
| C27 | C31 | sing | 1.55Å | 1.52Å | |
| O22 | C21 | doub | 1.22Å | 1.21Å | |
| C28 | O29 | sing | 1.43Å | 1.45Å | |
| O23 | C21 | sing | 1.35Å | 1.37Å | |
| C12 | N11 | sing | 1.46Å | 1.56Å | |
| C31 | C30 | sing | 1.58Å | 1.50Å | |
| C21 | N20 | sing | 1.35Å | 1.27Å | |
| O10 | S8 | doub | 1.42Å | 1.41Å | |
| C57 | C56 | sing | 1.53Å | 1.53Å | |
| C57 | C55 | sing | 1.53Å | 1.58Å | |
| O29 | C30 | sing | 1.44Å | 1.44Å | |
| N11 | S8 | sing | 1.66Å | 1.64Å | |
| N11 | C16 | sing | 1.46Å | 1.48Å | |
| N20 | C19 | sing | 1.47Å | 1.47Å | |
| S51 | C3 | sing | 1.76Å | 1.71Å | Aromatic |
| S51 | C53 | sing | 1.76Å | 1.74Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C19 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | sing | 1.53Å | 1.58Å | |
| C17 | O18 | sing | 1.43Å | 1.42Å | |
| S8 | C5 | sing | 1.76Å | 1.77Å | |
| S8 | O9 | doub | 1.42Å | 1.41Å | |
| C56 | C55 | sing | 1.53Å | 1.49Å | |
| C19 | C32 | sing | 1.53Å | 1.50Å | |
| C55 | N54 | sing | 1.46Å | 1.44Å | |
| C3 | C2 | sing | 1.40Å | 1.44Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C53 | N54 | sing | 1.38Å | 1.38Å | |
| C53 | N52 | doub | 1.29Å | 1.33Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.42Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.35Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.38Å | Aromatic |
| C32 | C38 | sing | 1.51Å | 1.53Å | |
| C38 | C33 | doub | 1.38Å | 1.41Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | N52 | sing | 1.35Å | 1.37Å | Aromatic |
| C2 | C7 | doub | 1.41Å | 1.35Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.37Å | 1.36Å | Aromatic |
| C36 | H1 | sing | 1.08Å | 1.08Å | |
| C35 | H2 | sing | 1.08Å | 1.08Å | |
| C34 | H3 | sing | 1.08Å | 1.08Å | |
| C37 | H4 | sing | 1.08Å | 1.08Å | |
| C33 | H5 | sing | 1.08Å | 1.08Å | |
| C32 | H6 | sing | 1.09Å | 1.10Å | |
| C32 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| N20 | H9 | sing | 0.97Å | 1.00Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C31 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C30 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C41 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| O18 | H22 | sing | 0.97Å | 0.95Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C12 | H26 | sing | 1.09Å | 1.10Å | |
| C13 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| C15 | H30 | sing | 1.09Å | 1.10Å | |
| C14 | H31 | sing | 1.09Å | 1.10Å | |
| C14 | H32 | sing | 1.09Å | 1.10Å | |
| C14 | H33 | sing | 1.09Å | 1.10Å | |
| C6 | H34 | sing | 1.08Å | 1.08Å | |
| C7 | H35 | sing | 1.08Å | 1.08Å | |
| C4 | H36 | sing | 1.08Å | 1.08Å | |
| N54 | H37 | sing | 0.97Å | 1.00Å | |
| C55 | H38 | sing | 1.09Å | 1.10Å | |
| C57 | H39 | sing | 1.09Å | 1.10Å | |
| C57 | H40 | sing | 1.09Å | 1.10Å | |
| C56 | H41 | sing | 1.09Å | 1.10Å | |
| C56 | H42 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C41 | C25 | 112.3° | 103.6° |
| C26 | C41 | O42 | 102.2° | 105.5° |
| C41 | C26 | C27 | 96.1° | 99.9° |
| C26 | C41 | H16 | 108.0° | 112.7° |
| C41 | C26 | H17 | 112.7° | 111.3° |
| C41 | C26 | H18 | 112.7° | 111.4° |
| C25 | C41 | O42 | 117.9° | 108.7° |
| C41 | C25 | C24 | 113.4° | 108.7° |
| C25 | C41 | H16 | 107.2° | 112.6° |
| C41 | C25 | H19 | 108.5° | 109.6° |
| C41 | C25 | H20 | 108.5° | 109.6° |
| C41 | O42 | C28 | 104.8° | 110.9° |
| O42 | C41 | H16 | 108.8° | 113.1° |
| C26 | C27 | C28 | 103.4° | 103.0° |
| C26 | C27 | C31 | 119.0° | 111.5° |
| C26 | C27 | H12 | 110.6° | 114.0° |
| C27 | C26 | H17 | 112.7° | 111.3° |
| C27 | C26 | H18 | 112.7° | 111.4° |
| C15 | C13 | C14 | 110.9° | 109.5° |
| C15 | C13 | C12 | 105.7° | 109.5° |
| C15 | C13 | H27 | 108.5° | 109.5° |
| C13 | C15 | H28 | 109.5° | 109.4° |
| C13 | C15 | H29 | 109.5° | 109.5° |
| C13 | C15 | H30 | 109.5° | 109.5° |
| C25 | C24 | O23 | 104.4° | 108.4° |
| C25 | C24 | C31 | 112.2° | 114.7° |
| C25 | C24 | H10 | 108.8° | 108.3° |
| C24 | C25 | H19 | 108.5° | 109.6° |
| C24 | C25 | H20 | 108.5° | 109.6° |
| C14 | C13 | C12 | 114.0° | 109.5° |
| C14 | C13 | H27 | 108.7° | 109.4° |
| C13 | C14 | H31 | 109.5° | 109.4° |
| C13 | C14 | H32 | 109.5° | 109.5° |
| C13 | C14 | H33 | 109.5° | 109.4° |
| O42 | C28 | C27 | 102.9° | 105.3° |
| O42 | C28 | O29 | 114.5° | 111.6° |
| O42 | C28 | H15 | 110.7° | 111.7° |
| C13 | C12 | N11 | 112.9° | 109.5° |
| C13 | C12 | H25 | 108.6° | 109.5° |
| C13 | C12 | H26 | 108.6° | 109.5° |
| C12 | C13 | H27 | 108.8° | 109.5° |
| O23 | C24 | C31 | 110.8° | 108.4° |
| C24 | O23 | C21 | 119.0° | 117.0° |
| O23 | C24 | H10 | 110.9° | 108.4° |
| C24 | C31 | C27 | 109.3° | 112.2° |
| C24 | C31 | C30 | 118.1° | 101.8° |
| C31 | C24 | H10 | 109.6° | 108.5° |
| C24 | C31 | H11 | 108.6° | 114.1° |
| C28 | C27 | C31 | 103.2° | 99.7° |
| C27 | C28 | O29 | 108.4° | 106.0° |
| C28 | C27 | H12 | 110.0° | 113.8° |
| C27 | C28 | H15 | 109.7° | 111.1° |
| C27 | C31 | C30 | 103.3° | 97.1° |
| C27 | C31 | H11 | 108.4° | 114.8° |
| C31 | C27 | H12 | 109.8° | 113.4° |
| O22 | C21 | O23 | 118.6° | 120.0° |
| O22 | C21 | N20 | 131.1° | 119.9° |
| C28 | O29 | C30 | 107.3° | 109.3° |
| O29 | C28 | H15 | 110.3° | 110.9° |
| O23 | C21 | N20 | 110.2° | 120.0° |
| C12 | N11 | S8 | 114.9° | 120.0° |
| C12 | N11 | C16 | 114.4° | 120.0° |
| N11 | C12 | H25 | 108.6° | 109.4° |
| N11 | C12 | H26 | 108.6° | 109.5° |
| C31 | C30 | O29 | 105.8° | 102.1° |
| C30 | C31 | H11 | 108.7° | 115.0° |
| C31 | C30 | H13 | 110.4° | 110.9° |
| C31 | C30 | H14 | 110.4° | 110.9° |
| C21 | N20 | C19 | 124.7° | 120.1° |
| C21 | N20 | H9 | 117.7° | 120.0° |
| O10 | S8 | N11 | 106.7° | 106.4° |
| O10 | S8 | C5 | 108.5° | 106.4° |
| O10 | S8 | O9 | 119.4° | 123.2° |
| C56 | C57 | C55 | 57.4° | 60.0° |
| C57 | C56 | C55 | 62.7° | 60.0° |
| C56 | C57 | H39 | 120.4° | 117.6° |
| C56 | C57 | H40 | 120.4° | 117.5° |
| C57 | C56 | H41 | 119.5° | 117.5° |
| C57 | C56 | H42 | 119.6° | 117.5° |
| C57 | C55 | C56 | 59.9° | 60.0° |
| C57 | C55 | N54 | 112.4° | 117.5° |
| C57 | C55 | H38 | 115.5° | 117.5° |
| C55 | C57 | H39 | 120.4° | 117.5° |
| C55 | C57 | H40 | 120.4° | 117.5° |
| O29 | C30 | H13 | 110.4° | 110.9° |
| O29 | C30 | H14 | 110.4° | 111.1° |
| S8 | N11 | C16 | 120.0° | 120.0° |
| N11 | S8 | C5 | 108.5° | 107.2° |
| N11 | S8 | O9 | 104.7° | 106.4° |
| N11 | C16 | C17 | 107.6° | 109.5° |
| N11 | C16 | H23 | 109.9° | 109.5° |
| N11 | C16 | H24 | 109.9° | 109.5° |
| N20 | C19 | C17 | 104.4° | 109.5° |
| N20 | C19 | C32 | 110.3° | 109.5° |
| N20 | C19 | H8 | 109.3° | 109.4° |
| C19 | N20 | H9 | 117.7° | 119.9° |
| C3 | S51 | C53 | 87.8° | 90.4° |
| S51 | C3 | C4 | 128.7° | 131.2° |
| S51 | C3 | C2 | 111.8° | 108.4° |
| S51 | C53 | N54 | 121.6° | 124.8° |
| S51 | C53 | N52 | 117.1° | 110.4° |
| C3 | C4 | C5 | 117.5° | 120.2° |
| C4 | C3 | C2 | 119.6° | 120.4° |
| C3 | C4 | H36 | 121.2° | 119.9° |
| C4 | C5 | S8 | 118.5° | 120.0° |
| C4 | C5 | C6 | 122.2° | 120.0° |
| C5 | C4 | H36 | 121.2° | 119.9° |
| C19 | C17 | C16 | 113.5° | 109.5° |
| C19 | C17 | O18 | 112.1° | 109.5° |
| C17 | C19 | C32 | 115.2° | 109.5° |
| C17 | C19 | H8 | 108.4° | 109.5° |
| C19 | C17 | H21 | 107.9° | 109.5° |
| C16 | C17 | O18 | 106.4° | 109.5° |
| C16 | C17 | H21 | 107.4° | 109.5° |
| C17 | C16 | H23 | 109.9° | 109.5° |
| C17 | C16 | H24 | 109.9° | 109.4° |
| O18 | C17 | H21 | 109.5° | 109.5° |
| C17 | O18 | H22 | 109.5° | 114.0° |
| C5 | S8 | O9 | 108.6° | 106.4° |
| S8 | C5 | C6 | 119.1° | 120.0° |
| C56 | C55 | N54 | 119.8° | 117.5° |
| C56 | C55 | H38 | 117.0° | 117.5° |
| C55 | C56 | H41 | 119.5° | 117.5° |
| C55 | C56 | H42 | 119.5° | 117.5° |
| C19 | C32 | C38 | 108.6° | 109.5° |
| C19 | C32 | H6 | 109.7° | 109.4° |
| C19 | C32 | H7 | 109.7° | 109.5° |
| C32 | C19 | H8 | 109.0° | 109.5° |
| C55 | N54 | C53 | 122.1° | 120.0° |
| C55 | N54 | H37 | 106.2° | 120.0° |
| N54 | C55 | H38 | 118.2° | 115.6° |
| C3 | C2 | N52 | 112.8° | 112.9° |
| C3 | C2 | C7 | 120.7° | 118.4° |
| C5 | C6 | C7 | 119.6° | 120.6° |
| C5 | C6 | H34 | 120.2° | 119.7° |
| N54 | C53 | N52 | 121.2° | 124.9° |
| C53 | N54 | H37 | 106.3° | 120.1° |
| C53 | N52 | C2 | 110.4° | 117.9° |
| C37 | C36 | C35 | 120.8° | 120.0° |
| C36 | C37 | C38 | 118.9° | 120.0° |
| C37 | C36 | H1 | 119.6° | 120.0° |
| C36 | C37 | H4 | 120.5° | 120.0° |
| C36 | C35 | C34 | 120.3° | 120.0° |
| C35 | C36 | H1 | 119.6° | 120.0° |
| C36 | C35 | H2 | 119.8° | 120.0° |
| C37 | C38 | C32 | 118.6° | 120.0° |
| C37 | C38 | C33 | 120.8° | 120.0° |
| C38 | C37 | H4 | 120.6° | 120.0° |
| C32 | C38 | C33 | 120.5° | 120.0° |
| C38 | C32 | H6 | 109.7° | 109.5° |
| C38 | C32 | H7 | 109.7° | 109.5° |
| C38 | C33 | C34 | 118.1° | 120.0° |
| C38 | C33 | H5 | 120.9° | 120.0° |
| C35 | C34 | C33 | 120.9° | 120.0° |
| C34 | C35 | H2 | 119.9° | 120.0° |
| C35 | C34 | H3 | 119.6° | 120.0° |
| N52 | C2 | C7 | 126.5° | 128.8° |
| C2 | C7 | C6 | 120.4° | 120.4° |
| C2 | C7 | H35 | 119.8° | 119.7° |
| C33 | C34 | H3 | 119.6° | 120.0° |
| C34 | C33 | H5 | 121.0° | 120.0° |
| C7 | C6 | H34 | 120.2° | 119.7° |
| C6 | C7 | H35 | 119.8° | 119.8° |
| H6 | C32 | H7 | 109.5° | 109.4° |
| H13 | C30 | H14 | 109.5° | 110.8° |
| H17 | C26 | H18 | 109.5° | 111.2° |
| H19 | C25 | H20 | 109.5° | 109.7° |
| H23 | C16 | H24 | 109.5° | 109.5° |
| H25 | C12 | H26 | 109.4° | 109.5° |
| H28 | C15 | H29 | 109.5° | 109.5° |
| H28 | C15 | H30 | 109.5° | 109.5° |
| H29 | C15 | H30 | 109.5° | 109.5° |
| H31 | C14 | H32 | 109.5° | 109.5° |
| H31 | C14 | H33 | 109.4° | 109.5° |
| H32 | C14 | H33 | 109.5° | 109.5° |
| H39 | C57 | H40 | 109.5° | 115.5° |
| H41 | C56 | H42 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C41 | C25 | O42 | 118.4° | 111.9° |
| C26 | C41 | C25 | H16 | 118.5° | 122.0° |
| C26 | C41 | O42 | H16 | 114.0° | 123.6° |
| C41 | C26 | C27 | H17 | 117.7° | 117.6° |
| C41 | C26 | C27 | H18 | 117.7° | 117.7° |
| C26 | C41 | C25 | C24 | 27.0° | 70.7° |
| C26 | C41 | O42 | C28 | 45.5° | 19.6° |
| C41 | C26 | C27 | C28 | 43.1° | 37.6° |
| C41 | C26 | C27 | C31 | 70.6° | 68.5° |
| C41 | C26 | C27 | H12 | 160.9° | 161.4° |
| C41 | C26 | H17 | H18 | 126.3° | 124.8° |
| C26 | C41 | C25 | H19 | 147.6° | 49.1° |
| C26 | C41 | C25 | H20 | 93.5° | 169.5° |
| C25 | C41 | O42 | H16 | 122.3° | 125.8° |
| C25 | C41 | C26 | C27 | 72.5° | 78.6° |
| C41 | C25 | C24 | H19 | 120.6° | 119.7° |
| C41 | C25 | C24 | H20 | 120.6° | 119.8° |
| C25 | C41 | O42 | C28 | 78.1° | 91.0° |
| C41 | C25 | C24 | O23 | 150.9° | 72.4° |
| C41 | C25 | C24 | C31 | 30.9° | 48.9° |
| C41 | C25 | C24 | H10 | 90.6° | 170.2° |
| C25 | C41 | C26 | H17 | 45.2° | 163.8° |
| C25 | C41 | C26 | H18 | 169.7° | 39.1° |
| C41 | C25 | H19 | H20 | 118.2° | 120.4° |
| O42 | C41 | C26 | C27 | 54.8° | 35.6° |
| O42 | C41 | C25 | C24 | 91.4° | 41.2° |
| C41 | O42 | C28 | C27 | 16.3° | 5.1° |
| C41 | O42 | C28 | O29 | 101.1° | 119.6° |
| C41 | O42 | C28 | H15 | 133.4° | 115.6° |
| O42 | C41 | C26 | H17 | 172.6° | 82.1° |
| O42 | C41 | C26 | H18 | 62.9° | 153.3° |
| O42 | C41 | C25 | H19 | 29.2° | 161.0° |
| O42 | C41 | C25 | H20 | 148.0° | 78.6° |
| C26 | C27 | C28 | O42 | 17.9° | 27.8° |
| C26 | C27 | C31 | C24 | 17.1° | 48.6° |
| C26 | C27 | C28 | C31 | 124.6° | 114.9° |
| C26 | C27 | C28 | H12 | 118.2° | 123.9° |
| C26 | C27 | C31 | H12 | 128.9° | 130.4° |
| C26 | C27 | C28 | O29 | 139.6° | 146.1° |
| C26 | C27 | C31 | C30 | 143.6° | 154.5° |
| C26 | C27 | C31 | H11 | 101.1° | 83.8° |
| C26 | C27 | C28 | H15 | 99.9° | 93.3° |
| C27 | C26 | C41 | H16 | 169.4° | 159.4° |
| C27 | C26 | H17 | H18 | 126.3° | 124.8° |
| C15 | C13 | C14 | C12 | 119.1° | 120.0° |
| C15 | C13 | C14 | H27 | 119.3° | 120.0° |
| C15 | C13 | C12 | H27 | 116.4° | 120.0° |
| C15 | C13 | C12 | N11 | 175.7° | 63.1° |
| C15 | C13 | C12 | H25 | 55.2° | 56.9° |
| C15 | C13 | C12 | H26 | 63.8° | 176.9° |
| C13 | C15 | H28 | H29 | 120.0° | 120.0° |
| C13 | C15 | H28 | H30 | 120.0° | 120.0° |
| C13 | C15 | H29 | H30 | 120.0° | 120.0° |
| C15 | C13 | C14 | H31 | 180.0° | 180.0° |
| C15 | C13 | C14 | H32 | 60.0° | 60.0° |
| C15 | C13 | C14 | H33 | 60.0° | 60.1° |
| C25 | C24 | O23 | C31 | 121.0° | 125.1° |
| C25 | C24 | O23 | H10 | 117.0° | 117.3° |
| C25 | C24 | C31 | H10 | 121.0° | 121.2° |
| C25 | C24 | C31 | C27 | 34.6° | 37.2° |
| C25 | C24 | O23 | C21 | 145.7° | 84.8° |
| C25 | C24 | C31 | C30 | 83.0° | 140.0° |
| C25 | C24 | C31 | H11 | 152.7° | 95.5° |
| C24 | C25 | C41 | H16 | 145.5° | 167.3° |
| C24 | C25 | H19 | H20 | 118.2° | 120.4° |
| C14 | C13 | C12 | H27 | 121.5° | 120.0° |
| C14 | C13 | C12 | N11 | 62.3° | 176.9° |
| C14 | C13 | C12 | H25 | 177.2° | 63.1° |
| C14 | C13 | C12 | H26 | 58.3° | 56.9° |
| C14 | C13 | C15 | H28 | 180.0° | 52.7° |
| C14 | C13 | C15 | H29 | 60.0° | 172.7° |
| C14 | C13 | C15 | H30 | 60.0° | 67.2° |
| C13 | C14 | H31 | H32 | 120.0° | 120.0° |
| C13 | C14 | H31 | H33 | 120.0° | 119.9° |
| C13 | C14 | H32 | H33 | 120.0° | 120.0° |
| O42 | C28 | C27 | O29 | 121.7° | 118.4° |
| O42 | C28 | C27 | H15 | 117.8° | 121.1° |
| O42 | C28 | C27 | C31 | 106.7° | 87.2° |
| O42 | C28 | O29 | H15 | 125.7° | 125.3° |
| O42 | C28 | O29 | C30 | 120.8° | 113.3° |
| O42 | C28 | C27 | H12 | 136.1° | 151.7° |
| C28 | O42 | C41 | H16 | 159.6° | 143.2° |
| C13 | C12 | N11 | H25 | 120.5° | 120.0° |
| C13 | C12 | N11 | H26 | 120.5° | 120.0° |
| C13 | C12 | N11 | S8 | 141.1° | 93.2° |
| C13 | C12 | N11 | C16 | 74.4° | 86.8° |
| C13 | C12 | H25 | H26 | 118.4° | 120.0° |
| C12 | C13 | C15 | H28 | 56.0° | 172.7° |
| C12 | C13 | C15 | H29 | 176.0° | 67.3° |
| C12 | C13 | C15 | H30 | 64.0° | 52.8° |
| C12 | C13 | C14 | H31 | 60.9° | 60.0° |
| C12 | C13 | C14 | H32 | 59.2° | 180.0° |
| C12 | C13 | C14 | H33 | 179.1° | 60.0° |
| O23 | C24 | C31 | H10 | 122.8° | 117.5° |
| O23 | C24 | C31 | C27 | 150.8° | 84.1° |
| C24 | O23 | C21 | O22 | 23.7° | 0.0° |
| O23 | C24 | C31 | C30 | 33.3° | 18.6° |
| C24 | O23 | C21 | N20 | 159.1° | 180.0° |
| O23 | C24 | C31 | H11 | 91.1° | 143.1° |
| O23 | C24 | C25 | H19 | 30.4° | 167.8° |
| O23 | C24 | C25 | H20 | 88.5° | 47.4° |
| C24 | C31 | C27 | C28 | 96.7° | 59.6° |
| C24 | C31 | C27 | C30 | 126.6° | 105.9° |
| C24 | C31 | C27 | H11 | 118.2° | 132.4° |
| C31 | C24 | O23 | C21 | 93.2° | 150.1° |
| C24 | C31 | C30 | H11 | 124.3° | 123.9° |
| C24 | C31 | C30 | O29 | 85.7° | 67.2° |
| C24 | C31 | C27 | H12 | 145.9° | 179.0° |
| C24 | C31 | C30 | H13 | 33.7° | 51.0° |
| C24 | C31 | C30 | H14 | 154.8° | 174.4° |
| C31 | C24 | C25 | H19 | 89.7° | 70.8° |
| C31 | C24 | C25 | H20 | 151.4° | 168.8° |
| C28 | C27 | C31 | H12 | 117.3° | 121.4° |
| C27 | C28 | O29 | H15 | 120.1° | 120.6° |
| C28 | C27 | C31 | C30 | 29.9° | 46.3° |
| C27 | C28 | O29 | C30 | 6.6° | 0.8° |
| C28 | C27 | C31 | H11 | 145.1° | 168.0° |
| C28 | C27 | C26 | H17 | 160.8° | 80.0° |
| C28 | C27 | C26 | H18 | 74.7° | 155.3° |
| C31 | C27 | C28 | O29 | 15.0° | 31.2° |
| C27 | C31 | C30 | H11 | 115.0° | 121.6° |
| C27 | C31 | C30 | O29 | 35.0° | 47.4° |
| C27 | C31 | C24 | H10 | 86.4° | 158.4° |
| C27 | C31 | C30 | H13 | 154.4° | 165.5° |
| C27 | C31 | C30 | H14 | 84.5° | 71.0° |
| C31 | C27 | C28 | H15 | 135.5° | 151.8° |
| C31 | C27 | C26 | H17 | 47.2° | 173.9° |
| C31 | C27 | C26 | H18 | 171.7° | 49.2° |
| O22 | C21 | O23 | N20 | 177.2° | 180.0° |
| O22 | C21 | N20 | C19 | 3.8° | 0.0° |
| O22 | C21 | N20 | H9 | 176.2° | 180.0° |
| C28 | O29 | C30 | C31 | 26.0° | 29.7° |
| O29 | C28 | C27 | H12 | 102.2° | 89.9° |
| C28 | O29 | C30 | H13 | 145.4° | 147.8° |
| C28 | O29 | C30 | H14 | 93.4° | 88.6° |
| O23 | C21 | N20 | C19 | 179.4° | 180.0° |
| O23 | C21 | N20 | H9 | 0.5° | 0.0° |
| C21 | O23 | C24 | H10 | 28.7° | 32.5° |
| C12 | N11 | S8 | O10 | 55.7° | 156.5° |
| C12 | N11 | S8 | C16 | 142.5° | 180.0° |
| C12 | N11 | C16 | C17 | 102.4° | 85.9° |
| C12 | N11 | S8 | C5 | 61.0° | 90.0° |
| C12 | N11 | S8 | O9 | 176.8° | 23.5° |
| C12 | N11 | C16 | H23 | 17.3° | 154.1° |
| C12 | N11 | C16 | H24 | 137.9° | 34.0° |
| N11 | C12 | H25 | H26 | 118.4° | 120.0° |
| N11 | C12 | C13 | H27 | 59.3° | 56.9° |
| C31 | C30 | O29 | H13 | 119.4° | 118.1° |
| C31 | C30 | O29 | H14 | 119.4° | 118.2° |
| C30 | C31 | C24 | H10 | 156.1° | 98.9° |
| C30 | C31 | C27 | H12 | 87.5° | 75.2° |
| C31 | C30 | H13 | H14 | 121.7° | 123.5° |
| C21 | N20 | C19 | H9 | 180.0° | 180.0° |
| C21 | N20 | C19 | C17 | 118.8° | 155.0° |
| C21 | N20 | C19 | C32 | 116.9° | 85.0° |
| C21 | N20 | C19 | H8 | 2.9° | 35.0° |
| O10 | S8 | N11 | C5 | 116.7° | 113.5° |
| O10 | S8 | N11 | O9 | 127.5° | 132.9° |
| O10 | S8 | N11 | C16 | 161.8° | 23.5° |
| O10 | S8 | C5 | C4 | 25.8° | 23.3° |
| O10 | S8 | C5 | O9 | 131.2° | 133.0° |
| O10 | S8 | C5 | C6 | 160.0° | 156.5° |
| C56 | C57 | C55 | H39 | 108.8° | 107.5° |
| C56 | C57 | C55 | H40 | 108.8° | 107.5° |
| C57 | C56 | C55 | H41 | 110.2° | 107.5° |
| C57 | C56 | C55 | H42 | 110.2° | 107.4° |
| C56 | C57 | C55 | N54 | 112.4° | 107.5° |
| C56 | C57 | C55 | H38 | 107.8° | 107.5° |
| C56 | C57 | H39 | H40 | 146.1° | 145.7° |
| C57 | C56 | H41 | H42 | 143.3° | 145.6° |
| C57 | C55 | N54 | H38 | 138.6° | 145.6° |
| C57 | C55 | N54 | C53 | 77.3° | 155.1° |
| C57 | C55 | N54 | H37 | 44.5° | 24.9° |
| C55 | C57 | H39 | H40 | 146.2° | 145.7° |
| O29 | C30 | C31 | H11 | 150.0° | 169.0° |
| O29 | C30 | H13 | H14 | 121.7° | 123.8° |
| C30 | O29 | C28 | H15 | 113.5° | 121.4° |
| N11 | S8 | C5 | C4 | 89.8° | 90.3° |
| S8 | N11 | C16 | C17 | 114.9° | 94.1° |
| N11 | S8 | C5 | O9 | 113.2° | 113.5° |
| N11 | S8 | C5 | C6 | 84.4° | 90.0° |
| S8 | N11 | C16 | H23 | 125.3° | 25.9° |
| S8 | N11 | C16 | H24 | 4.8° | 146.0° |
| S8 | N11 | C12 | H25 | 98.4° | 146.9° |
| S8 | N11 | C12 | H26 | 20.5° | 26.8° |
| N11 | C16 | C17 | C19 | 67.7° | 175.0° |
| N11 | C16 | C17 | H23 | 119.7° | 120.1° |
| N11 | C16 | C17 | H24 | 119.7° | 120.0° |
| N11 | C16 | C17 | O18 | 168.6° | 65.0° |
| C16 | N11 | S8 | C5 | 81.4° | 90.0° |
| C16 | N11 | S8 | O9 | 34.3° | 156.5° |
| N11 | C16 | C17 | H21 | 51.5° | 55.0° |
| N11 | C16 | H23 | H24 | 120.8° | 120.0° |
| C16 | N11 | C12 | H25 | 46.2° | 33.1° |
| C16 | N11 | C12 | H26 | 165.1° | 153.2° |
| N20 | C19 | C17 | C32 | 121.1° | 120.0° |
| N20 | C19 | C17 | H8 | 116.5° | 119.9° |
| N20 | C19 | C17 | C16 | 169.5° | 175.0° |
| N20 | C19 | C17 | O18 | 70.0° | 65.0° |
| N20 | C19 | C32 | H8 | 120.0° | 119.9° |
| N20 | C19 | C32 | C38 | 60.7° | 64.9° |
| N20 | C19 | C32 | H6 | 59.1° | 175.0° |
| N20 | C19 | C32 | H7 | 179.4° | 55.1° |
| N20 | C19 | C17 | H21 | 50.6° | 55.0° |
| S51 | C3 | C4 | C2 | 179.5° | 179.4° |
| S51 | C3 | C4 | C5 | 179.5° | 180.0° |
| C3 | S51 | C53 | N54 | 178.5° | 180.0° |
| C3 | S51 | C53 | N52 | 0.5° | 0.2° |
| S51 | C3 | C2 | N52 | 1.4° | 0.2° |
| S51 | C3 | C2 | C7 | 179.3° | 179.8° |
| S51 | C3 | C4 | H36 | 0.5° | 0.6° |
| C53 | S51 | C3 | C4 | 179.0° | 179.7° |
| S51 | C53 | N54 | C55 | 10.2° | 180.0° |
| C53 | S51 | C3 | C2 | 0.5° | 0.3° |
| S51 | C53 | N54 | N52 | 179.0° | 179.7° |
| S51 | C53 | N52 | C2 | 1.4° | 0.2° |
| S51 | C53 | N54 | H37 | 111.5° | 0.1° |
| C3 | C4 | C5 | H36 | 180.0° | 179.4° |
| C3 | C4 | C5 | S8 | 174.8° | 179.7° |
| C3 | C4 | C5 | C6 | 0.9° | 0.5° |
| C4 | C3 | C2 | N52 | 178.2° | 179.7° |
| C4 | C3 | C2 | C7 | 1.1° | 0.3° |
| C4 | C5 | S8 | C6 | 174.1° | 179.8° |
| C4 | C5 | S8 | O9 | 157.0° | 156.2° |
| C5 | C4 | C3 | C2 | 1.0° | 0.6° |
| C4 | C5 | C6 | C7 | 0.7° | 0.2° |
| C4 | C5 | C6 | H34 | 179.3° | 179.7° |
| C19 | C17 | C16 | O18 | 123.7° | 120.0° |
| C19 | C17 | C16 | H21 | 119.2° | 120.0° |
| C19 | C17 | O18 | H21 | 119.6° | 120.0° |
| C17 | C19 | C32 | H8 | 122.1° | 120.0° |
| C17 | C19 | C32 | C38 | 178.6° | 175.0° |
| C17 | C19 | C32 | H6 | 58.8° | 55.0° |
| C17 | C19 | C32 | H7 | 61.5° | 65.0° |
| C17 | C19 | N20 | H9 | 61.2° | 25.0° |
| C19 | C17 | O18 | H22 | 180.0° | 60.0° |
| C19 | C17 | C16 | H23 | 172.6° | 55.0° |
| C19 | C17 | C16 | H24 | 52.0° | 65.0° |
| C16 | C17 | O18 | H21 | 115.8° | 120.0° |
| C16 | C17 | C19 | C32 | 69.3° | 65.0° |
| C16 | C17 | C19 | H8 | 53.0° | 55.0° |
| C16 | C17 | O18 | H22 | 55.4° | 60.0° |
| C17 | C16 | H23 | H24 | 120.9° | 119.9° |
| O18 | C17 | C19 | C32 | 51.2° | 55.0° |
| O18 | C17 | C19 | H8 | 173.6° | 175.0° |
| O18 | C17 | C16 | H23 | 48.9° | 175.0° |
| O18 | C17 | C16 | H24 | 71.7° | 55.0° |
| S8 | C5 | C6 | C7 | 174.6° | 180.0° |
| S8 | C5 | C6 | H34 | 5.4° | 0.0° |
| S8 | C5 | C4 | H36 | 5.2° | 0.2° |
| O9 | S8 | C5 | C6 | 28.9° | 23.5° |
| C56 | C55 | N54 | H38 | 154.3° | 145.7° |
| C56 | C55 | N54 | C53 | 144.4° | 136.3° |
| C56 | C55 | N54 | H37 | 22.6° | 43.8° |
| C55 | C56 | H41 | H42 | 143.2° | 145.8° |
| C19 | C32 | C38 | C37 | 77.6° | 90.0° |
| C19 | C32 | C38 | H6 | 119.9° | 120.0° |
| C19 | C32 | C38 | H7 | 119.9° | 120.0° |
| C19 | C32 | C38 | C33 | 100.0° | 90.1° |
| C19 | C32 | H6 | H7 | 120.4° | 120.0° |
| C32 | C19 | N20 | H9 | 63.1° | 95.0° |
| C32 | C19 | C17 | H21 | 171.7° | 175.0° |
| C55 | N54 | C53 | H37 | 121.7° | 180.0° |
| C55 | N54 | C53 | N52 | 168.8° | 0.3° |
| N54 | C55 | C57 | H39 | 138.8° | 0.0° |
| N54 | C55 | C57 | H40 | 3.7° | 145.0° |
| N54 | C55 | C56 | H41 | 10.0° | 145.1° |
| N54 | C55 | C56 | H42 | 149.6° | 0.0° |
| C3 | C2 | N52 | C53 | 1.8° | 0.0° |
| C3 | C2 | N52 | C7 | 179.2° | 180.0° |
| C3 | C2 | C7 | C6 | 0.9° | 0.0° |
| C3 | C2 | C7 | H35 | 179.1° | 180.0° |
| C2 | C3 | C4 | H36 | 179.0° | 180.0° |
| C5 | C6 | C7 | C2 | 0.8° | 0.1° |
| C5 | C6 | C7 | H34 | 180.0° | 180.0° |
| C5 | C6 | C7 | H35 | 179.2° | 180.0° |
| C6 | C5 | C4 | H36 | 179.1° | 180.0° |
| N54 | C53 | N52 | C2 | 177.6° | 179.9° |
| C53 | N54 | C55 | H38 | 61.4° | 9.4° |
| C53 | N52 | C2 | C7 | 179.0° | 180.0° |
| N52 | C53 | N54 | H37 | 69.5° | 179.7° |
| C37 | C36 | C35 | H1 | 180.0° | 179.7° |
| C36 | C37 | C38 | H4 | 180.0° | 180.0° |
| C36 | C37 | C38 | C32 | 177.0° | 179.9° |
| C36 | C37 | C38 | C33 | 0.5° | 0.1° |
| C37 | C36 | C35 | C34 | 2.9° | 0.0° |
| C37 | C36 | C35 | H2 | 177.1° | 180.0° |
| C35 | C36 | C37 | C38 | 0.8° | 0.0° |
| C36 | C35 | C34 | H2 | 180.0° | 180.0° |
| C36 | C35 | C34 | C33 | 4.8° | 0.0° |
| C36 | C35 | C34 | H3 | 175.2° | 180.0° |
| C35 | C36 | C37 | H4 | 179.2° | 180.0° |
| C37 | C38 | C32 | C33 | 177.6° | 179.9° |
| C37 | C38 | C33 | C34 | 2.4° | 0.1° |
| C38 | C37 | C36 | H1 | 179.2° | 179.8° |
| C37 | C38 | C33 | H5 | 177.7° | 179.9° |
| C37 | C38 | C32 | H6 | 162.6° | 150.0° |
| C37 | C38 | C32 | H7 | 42.3° | 30.0° |
| C32 | C38 | C33 | C34 | 175.1° | 180.0° |
| C32 | C38 | C37 | H4 | 3.0° | 0.0° |
| C32 | C38 | C33 | H5 | 4.8° | 0.2° |
| C38 | C32 | H6 | H7 | 120.4° | 120.0° |
| C38 | C32 | C19 | H8 | 59.3° | 55.0° |
| C38 | C33 | C34 | C35 | 4.5° | 0.1° |
| C38 | C33 | C34 | H5 | 180.0° | 179.8° |
| C38 | C33 | C34 | H3 | 175.5° | 179.9° |
| C33 | C38 | C37 | H4 | 179.5° | 179.9° |
| C33 | C38 | C32 | H6 | 19.9° | 29.9° |
| C33 | C38 | C32 | H7 | 140.1° | 149.9° |
| C35 | C34 | C33 | H3 | 180.0° | 180.0° |
| C34 | C35 | C36 | H1 | 177.1° | 179.7° |
| C35 | C34 | C33 | H5 | 175.5° | 179.9° |
| N52 | C2 | C7 | C6 | 178.2° | 179.9° |
| N52 | C2 | C7 | H35 | 1.8° | 0.0° |
| C2 | C7 | C6 | H35 | 180.0° | 180.0° |
| C2 | C7 | C6 | H34 | 179.3° | 180.0° |
| C33 | C34 | C35 | H2 | 175.2° | 180.0° |
| H1 | C36 | C35 | H2 | 2.9° | 0.3° |
| H1 | C36 | C37 | H4 | 0.8° | 0.2° |
| H2 | C35 | C34 | H3 | 4.8° | 0.0° |
| H3 | C34 | C33 | H5 | 4.5° | 0.1° |
| H6 | C32 | C19 | H8 | 179.2° | 65.1° |
| H7 | C32 | C19 | H8 | 60.6° | 175.0° |
| H8 | C19 | N20 | H9 | 177.1° | 145.0° |
| H8 | C19 | C17 | H21 | 65.9° | 65.0° |
| H10 | C24 | C31 | H11 | 31.7° | 25.6° |
| H10 | C24 | C25 | H19 | 148.8° | 50.4° |
| H10 | C24 | C25 | H20 | 30.0° | 70.0° |
| H11 | C31 | C27 | H12 | 27.8° | 46.6° |
| H11 | C31 | C30 | H13 | 90.6° | 72.9° |
| H11 | C31 | C30 | H14 | 30.6° | 50.5° |
| H12 | C27 | C28 | H15 | 18.3° | 30.6° |
| H12 | C27 | C26 | H17 | 81.4° | 43.8° |
| H12 | C27 | C26 | H18 | 43.2° | 80.9° |
| H16 | C41 | C26 | H17 | 72.8° | 41.8° |
| H16 | C41 | C26 | H18 | 51.7° | 82.9° |
| H16 | C41 | C25 | H19 | 93.9° | 72.9° |
| H16 | C41 | C25 | H20 | 24.9° | 47.5° |
| H21 | C17 | O18 | H22 | 60.4° | 180.0° |
| H21 | C17 | C16 | H23 | 68.2° | 65.1° |
| H21 | C17 | C16 | H24 | 171.2° | 175.0° |
| H25 | C12 | C13 | H27 | 61.2° | 176.9° |
| H26 | C12 | C13 | H27 | 179.8° | 63.1° |
| H27 | C13 | C15 | H28 | 60.6° | 67.3° |
| H27 | C13 | C15 | H29 | 59.4° | 52.7° |
| H27 | C13 | C15 | H30 | 179.3° | 172.8° |
| H27 | C13 | C14 | H31 | 60.7° | 60.0° |
| H27 | C13 | C14 | H32 | 179.2° | 60.0° |
| H27 | C13 | C14 | H33 | 59.3° | 180.0° |
| H28 | C15 | H29 | H30 | 120.0° | 120.0° |
| H31 | C14 | H32 | H33 | 120.0° | 120.0° |
| H34 | C6 | C7 | H35 | 0.7° | 0.0° |
| H37 | N54 | C55 | H38 | 176.9° | 170.5° |
| H38 | C55 | C57 | H39 | 1.0° | 145.0° |
| H38 | C55 | C57 | H40 | 143.5° | 0.0° |
| H38 | C55 | C56 | H41 | 144.5° | 0.0° |
| H38 | C55 | C56 | H42 | 5.0° | 145.1° |
| H39 | C57 | C56 | H41 | 141.1° | 145.0° |
| H39 | C57 | C56 | H42 | 1.4° | 0.0° |
| H40 | C57 | C56 | H41 | 1.4° | 0.1° |
| H40 | C57 | C56 | H42 | 141.1° | 145.0° |
