G52
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| O39 | C2 | sing | 1.36Å | 1.36Å | |
| C2 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | S8 | sing | 1.76Å | 1.76Å | |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| O9 | S8 | doub | 1.42Å | 1.49Å | |
| S8 | O10 | doub | 1.42Å | 1.48Å | |
| S8 | N11 | sing | 1.66Å | 1.65Å | |
| N11 | C16 | sing | 1.47Å | 1.46Å | |
| N11 | C12 | sing | 1.46Å | 1.45Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.54Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C19 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | O18 | sing | 1.43Å | 1.43Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| O18 | HO18 | sing | 0.97Å | 0.95Å | |
| C32 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | N20 | sing | 1.46Å | 1.46Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| N20 | C21 | sing | 1.35Å | 1.33Å | |
| N20 | HN20 | sing | 0.97Å | 1.00Å | |
| O22 | C21 | doub | 1.22Å | 1.25Å | |
| C21 | O23 | sing | 1.35Å | 1.36Å | |
| O23 | C24 | sing | 1.45Å | 1.42Å | |
| C31 | C24 | sing | 1.54Å | 1.55Å | |
| C24 | C25 | sing | 1.54Å | 1.52Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| O26 | C25 | sing | 1.44Å | 1.44Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C27 | O26 | sing | 1.44Å | 1.41Å | |
| C31 | C27 | sing | 1.56Å | 1.52Å | |
| O28 | C27 | sing | 1.44Å | 1.44Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | O28 | sing | 1.44Å | 1.40Å | |
| O41 | C29 | sing | 1.43Å | 1.45Å | |
| C30 | C29 | sing | 1.55Å | 1.53Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C43 | C30 | sing | 1.55Å | 1.52Å | |
| C30 | C31 | sing | 1.55Å | 1.52Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C38 | C32 | sing | 1.51Å | 1.54Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C34 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | C38 | doub | 1.38Å | 1.38Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| O39 | C40 | sing | 1.43Å | 1.41Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C40 | H40B | sing | 1.09Å | 1.10Å | |
| C42 | O41 | sing | 1.44Å | 1.45Å | |
| C43 | C42 | sing | 1.58Å | 1.53Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C42 | H42A | sing | 1.09Å | 1.10Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | O39 | 118.0° | 120.1° |
| C3 | C2 | C7 | 119.3° | 119.9° |
| C2 | C3 | C4 | 121.1° | 120.0° |
| C2 | C3 | H3 | 119.4° | 120.0° |
| O39 | C2 | C7 | 122.6° | 120.1° |
| C2 | O39 | C40 | 112.4° | 117.0° |
| C2 | C7 | C6 | 118.1° | 120.0° |
| C2 | C7 | H7 | 120.9° | 120.0° |
| C4 | C3 | H3 | 119.4° | 120.0° |
| C3 | C4 | C5 | 119.6° | 120.0° |
| C3 | C4 | H4 | 120.2° | 120.0° |
| C5 | C4 | H4 | 120.2° | 119.9° |
| C4 | C5 | C6 | 118.3° | 120.1° |
| C4 | C5 | S8 | 122.0° | 119.9° |
| C6 | C5 | S8 | 119.6° | 119.9° |
| C5 | C6 | C7 | 122.7° | 120.0° |
| C5 | C6 | H6 | 118.6° | 119.9° |
| C5 | S8 | O9 | 106.7° | 106.4° |
| C5 | S8 | O10 | 107.3° | 106.4° |
| C5 | S8 | N11 | 110.5° | 107.2° |
| C7 | C6 | H6 | 118.6° | 120.0° |
| C6 | C7 | H7 | 121.0° | 120.0° |
| O9 | S8 | O10 | 117.6° | 123.2° |
| O9 | S8 | N11 | 108.6° | 106.4° |
| O10 | S8 | N11 | 106.0° | 106.4° |
| S8 | N11 | C16 | 117.6° | 120.0° |
| S8 | N11 | C12 | 114.0° | 120.0° |
| C16 | N11 | C12 | 115.4° | 120.0° |
| N11 | C16 | C17 | 111.1° | 109.4° |
| N11 | C16 | H16 | 108.9° | 109.4° |
| N11 | C16 | H16A | 109.0° | 109.5° |
| N11 | C12 | C13 | 115.0° | 109.5° |
| N11 | C12 | H12 | 107.7° | 109.5° |
| N11 | C12 | H12A | 107.7° | 109.4° |
| C13 | C12 | H12 | 107.7° | 109.5° |
| C13 | C12 | H12A | 107.7° | 109.4° |
| C12 | C13 | C14 | 115.3° | 109.5° |
| C12 | C13 | C15 | 108.6° | 109.5° |
| C12 | C13 | H13 | 105.8° | 109.4° |
| H12 | C12 | H12A | 111.2° | 109.5° |
| C14 | C13 | C15 | 108.4° | 109.5° |
| C14 | C13 | H13 | 106.0° | 109.5° |
| C13 | C14 | H14 | 109.5° | 109.4° |
| C13 | C14 | H14A | 109.5° | 109.5° |
| C13 | C14 | H14B | 109.5° | 109.5° |
| C15 | C13 | H13 | 112.9° | 109.4° |
| C13 | C15 | H15 | 109.5° | 109.5° |
| C13 | C15 | H15A | 109.5° | 109.5° |
| C13 | C15 | H15B | 109.5° | 109.4° |
| H14 | C14 | H14A | 109.5° | 109.4° |
| H14 | C14 | H14B | 109.4° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| H15 | C15 | H15A | 109.5° | 109.5° |
| H15 | C15 | H15B | 109.5° | 109.5° |
| H15A | C15 | H15B | 109.4° | 109.5° |
| C17 | C16 | H16 | 109.0° | 109.5° |
| C17 | C16 | H16A | 108.9° | 109.5° |
| C16 | C17 | C19 | 114.8° | 109.5° |
| C16 | C17 | O18 | 110.0° | 109.5° |
| C16 | C17 | H17 | 105.8° | 109.5° |
| H16 | C16 | H16A | 110.0° | 109.5° |
| C19 | C17 | O18 | 110.8° | 109.4° |
| C19 | C17 | H17 | 104.9° | 109.5° |
| C17 | C19 | C32 | 112.4° | 109.5° |
| C17 | C19 | N20 | 111.2° | 109.5° |
| C17 | C19 | H19 | 105.4° | 109.5° |
| O18 | C17 | H17 | 110.2° | 109.5° |
| C17 | O18 | HO18 | 109.5° | 114.0° |
| C32 | C19 | N20 | 106.7° | 109.4° |
| C32 | C19 | H19 | 110.0° | 109.5° |
| C19 | C32 | C38 | 110.8° | 109.5° |
| C19 | C32 | H32 | 109.0° | 109.5° |
| C19 | C32 | H32A | 109.0° | 109.5° |
| N20 | C19 | H19 | 111.2° | 109.5° |
| C19 | N20 | C21 | 126.7° | 120.0° |
| C19 | N20 | HN20 | 116.7° | 120.0° |
| C21 | N20 | HN20 | 116.7° | 120.0° |
| N20 | C21 | O22 | 120.9° | 120.0° |
| N20 | C21 | O23 | 113.2° | 120.0° |
| O22 | C21 | O23 | 125.9° | 120.0° |
| C21 | O23 | C24 | 114.7° | 117.0° |
| O23 | C24 | C31 | 109.0° | 110.5° |
| O23 | C24 | C25 | 107.2° | 110.5° |
| O23 | C24 | H24 | 108.9° | 110.4° |
| C31 | C24 | C25 | 101.1° | 104.2° |
| C31 | C24 | H24 | 114.3° | 110.6° |
| C24 | C31 | C27 | 101.8° | 103.9° |
| C24 | C31 | C30 | 113.5° | 109.2° |
| C24 | C31 | H31 | 110.3° | 112.8° |
| C25 | C24 | H24 | 115.9° | 110.5° |
| C24 | C25 | O26 | 106.0° | 104.8° |
| C24 | C25 | H25 | 110.7° | 110.4° |
| C24 | C25 | H25A | 110.6° | 110.4° |
| O26 | C25 | H25 | 110.6° | 110.4° |
| O26 | C25 | H25A | 110.7° | 110.4° |
| C25 | O26 | C27 | 108.8° | 105.4° |
| H25 | C25 | H25A | 108.2° | 110.3° |
| O26 | C27 | C31 | 109.1° | 104.7° |
| O26 | C27 | O28 | 108.9° | 109.0° |
| O26 | C27 | H27 | 109.0° | 112.4° |
| C31 | C27 | O28 | 106.0° | 105.3° |
| C31 | C27 | H27 | 111.7° | 112.5° |
| C27 | C31 | C30 | 104.4° | 103.3° |
| C27 | C31 | H31 | 118.7° | 114.0° |
| O28 | C27 | H27 | 111.9° | 112.4° |
| C27 | O28 | C29 | 111.9° | 106.4° |
| O28 | C29 | O41 | 107.7° | 108.3° |
| O28 | C29 | C30 | 107.2° | 104.9° |
| O28 | C29 | H29 | 111.1° | 111.8° |
| O41 | C29 | C30 | 106.3° | 107.9° |
| O41 | C29 | H29 | 111.9° | 111.7° |
| C29 | O41 | C42 | 103.4° | 110.2° |
| C30 | C29 | H29 | 112.4° | 111.9° |
| C29 | C30 | C43 | 103.3° | 102.2° |
| C29 | C30 | C31 | 104.4° | 104.7° |
| C29 | C30 | H30 | 117.8° | 113.2° |
| C43 | C30 | C31 | 113.6° | 109.2° |
| C43 | C30 | H30 | 109.4° | 113.6° |
| C30 | C43 | C42 | 104.2° | 100.8° |
| C30 | C43 | H43 | 111.3° | 111.2° |
| C30 | C43 | H43A | 111.3° | 111.1° |
| C31 | C30 | H30 | 108.4° | 112.9° |
| C30 | C31 | H31 | 108.1° | 112.9° |
| C38 | C32 | H32 | 109.0° | 109.5° |
| C38 | C32 | H32A | 109.0° | 109.4° |
| C32 | C38 | C33 | 119.9° | 120.0° |
| C32 | C38 | C37 | 120.2° | 120.0° |
| H32 | C32 | H32A | 109.9° | 109.5° |
| C34 | C33 | C38 | 122.2° | 120.1° |
| C34 | C33 | H33 | 118.9° | 120.0° |
| C33 | C34 | C35 | 117.6° | 120.0° |
| C33 | C34 | H34 | 121.2° | 120.0° |
| C38 | C33 | H33 | 118.9° | 120.0° |
| C33 | C38 | C37 | 119.9° | 119.9° |
| C35 | C34 | H34 | 121.2° | 120.0° |
| C34 | C35 | C36 | 120.0° | 119.9° |
| C34 | C35 | H35 | 120.0° | 120.0° |
| C36 | C35 | H35 | 120.0° | 120.0° |
| C35 | C36 | C37 | 121.6° | 120.1° |
| C35 | C36 | H36 | 119.2° | 120.0° |
| C37 | C36 | H36 | 119.2° | 120.0° |
| C36 | C37 | C38 | 118.6° | 120.0° |
| C36 | C37 | H37 | 120.7° | 120.0° |
| C38 | C37 | H37 | 120.7° | 120.0° |
| O39 | C40 | H40 | 109.5° | 109.5° |
| O39 | C40 | H40A | 109.5° | 109.5° |
| O39 | C40 | H40B | 109.5° | 109.5° |
| H40 | C40 | H40A | 109.4° | 109.4° |
| H40 | C40 | H40B | 109.5° | 109.4° |
| H40A | C40 | H40B | 109.5° | 109.5° |
| O41 | C42 | C43 | 101.7° | 104.9° |
| O41 | C42 | H42 | 112.1° | 110.3° |
| O41 | C42 | H42A | 112.2° | 110.3° |
| C43 | C42 | H42 | 112.1° | 111.1° |
| C43 | C42 | H42A | 112.2° | 109.8° |
| C42 | C43 | H43 | 111.3° | 111.6° |
| C42 | C43 | H43A | 111.3° | 110.8° |
| H42 | C42 | H42A | 106.6° | 110.3° |
| H43 | C43 | H43A | 107.6° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | O39 | C7 | 177.3° | 179.7° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 3.9° | 0.0° |
| C2 | C3 | C4 | H4 | 176.0° | 180.0° |
| C3 | C2 | C7 | C6 | 8.2° | 0.0° |
| C3 | C2 | C7 | H7 | 171.7° | 180.0° |
| C3 | C2 | O39 | C40 | 179.5° | 0.3° |
| O39 | C2 | C3 | C4 | 178.4° | 179.7° |
| O39 | C2 | C3 | H3 | 1.7° | 0.3° |
| O39 | C2 | C7 | C6 | 174.5° | 179.7° |
| O39 | C2 | C7 | H7 | 5.5° | 0.2° |
| C2 | O39 | C40 | H40 | 180.0° | 180.0° |
| C2 | O39 | C40 | H40A | 60.0° | 60.0° |
| C2 | O39 | C40 | H40B | 60.0° | 60.0° |
| C7 | C2 | C3 | C4 | 4.3° | 0.0° |
| C7 | C2 | C3 | H3 | 175.7° | 179.9° |
| C2 | C7 | C6 | C5 | 4.2° | 0.0° |
| C2 | C7 | C6 | H7 | 180.0° | 180.0° |
| C2 | C7 | C6 | H6 | 175.7° | 180.0° |
| C7 | C2 | O39 | C40 | 3.3° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 7.9° | 0.0° |
| C3 | C4 | C5 | S8 | 174.9° | 179.9° |
| H3 | C3 | C4 | C5 | 176.1° | 179.9° |
| H3 | C3 | C4 | H4 | 4.0° | 0.1° |
| C4 | C5 | C6 | S8 | 177.2° | 179.9° |
| C4 | C5 | C6 | C7 | 3.8° | 0.0° |
| C4 | C5 | C6 | H6 | 176.2° | 180.0° |
| C4 | C5 | S8 | O9 | 27.9° | 149.9° |
| C4 | C5 | S8 | O10 | 154.8° | 16.9° |
| C4 | C5 | S8 | N11 | 90.1° | 96.6° |
| H4 | C4 | C5 | C6 | 172.1° | 180.0° |
| H4 | C4 | C5 | S8 | 5.1° | 0.1° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | H7 | 175.7° | 179.9° |
| C6 | C5 | S8 | O9 | 149.3° | 30.0° |
| C6 | C5 | S8 | O10 | 22.4° | 163.0° |
| C6 | C5 | S8 | N11 | 92.8° | 83.5° |
| S8 | C5 | C6 | C7 | 178.9° | 179.9° |
| S8 | C5 | C6 | H6 | 1.1° | 0.1° |
| C5 | S8 | O9 | O10 | 120.5° | 123.0° |
| C5 | S8 | O9 | N11 | 119.2° | 114.1° |
| C5 | S8 | O10 | N11 | 118.1° | 114.1° |
| C5 | S8 | N11 | C16 | 83.9° | 84.1° |
| C5 | S8 | N11 | C12 | 55.9° | 95.9° |
| H6 | C6 | C7 | H7 | 4.3° | 0.0° |
| O9 | S8 | O10 | N11 | 121.7° | 122.9° |
| O9 | S8 | N11 | C16 | 32.8° | 29.5° |
| O9 | S8 | N11 | C12 | 172.7° | 150.5° |
| O10 | S8 | N11 | C16 | 160.1° | 162.4° |
| O10 | S8 | N11 | C12 | 60.0° | 17.6° |
| S8 | N11 | C16 | C12 | 139.3° | 180.0° |
| S8 | N11 | C12 | C13 | 142.7° | 114.2° |
| S8 | N11 | C12 | H12 | 22.8° | 125.8° |
| S8 | N11 | C12 | H12A | 97.3° | 5.8° |
| S8 | N11 | C16 | C17 | 115.5° | 95.0° |
| S8 | N11 | C16 | H16 | 124.4° | 145.0° |
| S8 | N11 | C16 | H16A | 4.5° | 25.0° |
| C16 | N11 | C12 | C13 | 76.5° | 65.8° |
| C16 | N11 | C12 | H12 | 163.5° | 54.2° |
| C16 | N11 | C12 | H12A | 43.5° | 174.3° |
| N11 | C16 | C17 | H16 | 120.0° | 119.9° |
| N11 | C16 | C17 | H16A | 120.0° | 120.0° |
| N11 | C16 | H16 | H16A | 119.3° | 120.0° |
| N11 | C16 | C17 | C19 | 64.4° | 175.0° |
| N11 | C16 | C17 | O18 | 169.8° | 65.0° |
| N11 | C16 | C17 | H17 | 50.7° | 55.0° |
| N11 | C12 | C13 | H12 | 120.0° | 120.0° |
| N11 | C12 | C13 | H12A | 120.0° | 120.0° |
| N11 | C12 | H12 | H12A | 117.7° | 120.0° |
| N11 | C12 | C13 | C14 | 59.6° | 176.6° |
| N11 | C12 | C13 | C15 | 178.6° | 63.3° |
| N11 | C12 | C13 | H13 | 57.1° | 56.6° |
| C12 | N11 | C16 | C17 | 105.2° | 85.0° |
| C12 | N11 | C16 | H16 | 14.9° | 35.0° |
| C12 | N11 | C16 | H16A | 134.8° | 155.0° |
| C13 | C12 | H12 | H12A | 117.8° | 120.0° |
| C12 | C13 | C14 | C15 | 121.9° | 120.0° |
| C12 | C13 | C14 | H13 | 116.6° | 120.0° |
| C12 | C13 | C15 | H13 | 117.0° | 119.9° |
| C12 | C13 | C14 | H14 | 180.0° | 60.1° |
| C12 | C13 | C14 | H14A | 60.0° | 180.0° |
| C12 | C13 | C14 | H14B | 60.0° | 60.0° |
| C12 | C13 | C15 | H15 | 180.0° | 52.3° |
| C12 | C13 | C15 | H15A | 60.0° | 67.7° |
| C12 | C13 | C15 | H15B | 60.0° | 172.3° |
| H12 | C12 | C13 | C14 | 60.4° | 56.6° |
| H12 | C12 | C13 | C15 | 61.4° | 176.7° |
| H12 | C12 | C13 | H13 | 177.1° | 63.4° |
| H12A | C12 | C13 | C14 | 179.6° | 63.4° |
| H12A | C12 | C13 | C15 | 58.6° | 56.6° |
| H12A | C12 | C13 | H13 | 62.9° | 176.6° |
| C14 | C13 | C15 | H13 | 117.1° | 120.0° |
| C13 | C14 | H14 | H14A | 120.0° | 120.0° |
| C13 | C14 | H14 | H14B | 120.0° | 120.0° |
| C13 | C14 | H14A | H14B | 120.0° | 120.1° |
| C14 | C13 | C15 | H15 | 54.1° | 67.7° |
| C14 | C13 | C15 | H15A | 65.9° | 172.2° |
| C14 | C13 | C15 | H15B | 174.1° | 52.2° |
| C15 | C13 | C14 | H14 | 58.1° | 60.0° |
| C15 | C13 | C14 | H14A | 178.1° | 60.0° |
| C15 | C13 | C14 | H14B | 61.9° | 180.0° |
| C13 | C15 | H15 | H15A | 120.0° | 120.1° |
| C13 | C15 | H15 | H15B | 120.0° | 119.9° |
| C13 | C15 | H15A | H15B | 120.0° | 120.0° |
| H13 | C13 | C14 | H14 | 63.4° | 180.0° |
| H13 | C13 | C14 | H14A | 56.6° | 60.0° |
| H13 | C13 | C14 | H14B | 176.6° | 60.0° |
| H13 | C13 | C15 | H15 | 63.0° | 172.3° |
| H13 | C13 | C15 | H15A | 177.0° | 52.2° |
| H13 | C13 | C15 | H15B | 57.0° | 67.8° |
| H14 | C14 | H14A | H14B | 119.9° | 120.0° |
| H15 | C15 | H15A | H15B | 120.0° | 120.0° |
| C17 | C16 | H16 | H16A | 119.3° | 120.1° |
| C16 | C17 | C19 | O18 | 125.4° | 120.0° |
| C16 | C17 | C19 | H17 | 115.7° | 120.0° |
| C16 | C17 | O18 | H17 | 116.3° | 120.1° |
| C16 | C17 | O18 | HO18 | 180.0° | 59.9° |
| C16 | C17 | C19 | C32 | 71.3° | 65.0° |
| C16 | C17 | C19 | N20 | 169.2° | 175.0° |
| C16 | C17 | C19 | H19 | 48.6° | 55.0° |
| H16 | C16 | C17 | C19 | 175.6° | 65.0° |
| H16 | C16 | C17 | O18 | 49.8° | 54.9° |
| H16 | C16 | C17 | H17 | 69.3° | 175.0° |
| H16A | C16 | C17 | C19 | 55.6° | 55.0° |
| H16A | C16 | C17 | O18 | 70.2° | 175.0° |
| H16A | C16 | C17 | H17 | 170.8° | 65.0° |
| C19 | C17 | O18 | H17 | 115.7° | 120.0° |
| C19 | C17 | O18 | HO18 | 52.0° | 60.1° |
| C17 | C19 | C32 | N20 | 122.1° | 120.0° |
| C17 | C19 | C32 | H19 | 117.1° | 120.0° |
| C17 | C19 | N20 | H19 | 117.2° | 120.0° |
| C17 | C19 | N20 | C21 | 112.6° | 155.0° |
| C17 | C19 | N20 | HN20 | 67.4° | 25.0° |
| C17 | C19 | C32 | C38 | 178.3° | 175.0° |
| C17 | C19 | C32 | H32 | 61.7° | 65.0° |
| C17 | C19 | C32 | H32A | 58.3° | 55.0° |
| O18 | C17 | C19 | C32 | 54.1° | 55.0° |
| O18 | C17 | C19 | N20 | 65.4° | 65.0° |
| O18 | C17 | C19 | H19 | 173.9° | 175.0° |
| H17 | C17 | O18 | HO18 | 63.7° | 179.9° |
| H17 | C17 | C19 | C32 | 173.1° | 175.0° |
| H17 | C17 | C19 | N20 | 53.5° | 55.0° |
| H17 | C17 | C19 | H19 | 67.1° | 65.0° |
| C32 | C19 | N20 | H19 | 120.0° | 120.0° |
| C32 | C19 | N20 | C21 | 124.6° | 85.0° |
| C32 | C19 | N20 | HN20 | 55.4° | 95.0° |
| C19 | C32 | C38 | H32 | 120.0° | 120.1° |
| C19 | C32 | C38 | H32A | 120.0° | 120.0° |
| C19 | C32 | H32 | H32A | 119.4° | 120.0° |
| C19 | C32 | C38 | C33 | 106.9° | 90.0° |
| C19 | C32 | C38 | C37 | 72.6° | 90.2° |
| C19 | N20 | C21 | HN20 | 180.0° | 179.9° |
| C19 | N20 | C21 | O22 | 0.0° | 0.1° |
| C19 | N20 | C21 | O23 | 178.4° | 179.9° |
| N20 | C19 | C32 | C38 | 59.6° | 65.0° |
| N20 | C19 | C32 | H32 | 60.4° | 55.0° |
| N20 | C19 | C32 | H32A | 179.6° | 175.0° |
| H19 | C19 | N20 | C21 | 4.6° | 34.9° |
| H19 | C19 | N20 | HN20 | 175.4° | 145.0° |
| H19 | C19 | C32 | C38 | 61.2° | 55.0° |
| H19 | C19 | C32 | H32 | 178.8° | 175.0° |
| H19 | C19 | C32 | H32A | 58.8° | 65.0° |
| N20 | C21 | O22 | O23 | 178.2° | 180.0° |
| N20 | C21 | O23 | C24 | 174.9° | 180.0° |
| HN20 | N20 | C21 | O22 | 180.0° | 180.0° |
| HN20 | N20 | C21 | O23 | 1.6° | 0.0° |
| O22 | C21 | O23 | C24 | 6.7° | 0.0° |
| C21 | O23 | C24 | C31 | 115.3° | 153.7° |
| C21 | O23 | C24 | C25 | 136.1° | 91.5° |
| C21 | O23 | C24 | H24 | 10.0° | 31.0° |
| O23 | C24 | C31 | C25 | 112.7° | 118.7° |
| O23 | C24 | C31 | H24 | 122.1° | 122.6° |
| O23 | C24 | C25 | H24 | 121.8° | 122.5° |
| O23 | C24 | C25 | O26 | 78.9° | 94.4° |
| O23 | C24 | C25 | H25 | 161.1° | 146.7° |
| O23 | C24 | C25 | H25A | 41.1° | 24.5° |
| O23 | C24 | C31 | C27 | 79.6° | 118.3° |
| O23 | C24 | C31 | C30 | 32.0° | 8.6° |
| O23 | C24 | C31 | H31 | 153.5° | 117.8° |
| C31 | C24 | C25 | H24 | 124.2° | 118.9° |
| C31 | C24 | C25 | O26 | 35.1° | 24.3° |
| C31 | C24 | C25 | H25 | 84.9° | 94.6° |
| C31 | C24 | C25 | H25A | 155.2° | 143.2° |
| C24 | C31 | C27 | O26 | 21.3° | 23.6° |
| C24 | C31 | C27 | C30 | 118.4° | 114.0° |
| C24 | C31 | C27 | H31 | 121.3° | 123.2° |
| C24 | C31 | C27 | O28 | 95.9° | 138.5° |
| C24 | C31 | C27 | H27 | 141.9° | 98.7° |
| C24 | C31 | C30 | C29 | 85.8° | 112.0° |
| C24 | C31 | C30 | C43 | 162.4° | 139.1° |
| C24 | C31 | C30 | H31 | 122.7° | 126.3° |
| C24 | C31 | C30 | H30 | 40.6° | 11.6° |
| C24 | C25 | O26 | H25 | 120.0° | 118.9° |
| C24 | C25 | O26 | H25A | 120.0° | 118.9° |
| C24 | C25 | H25 | H25A | 121.4° | 122.3° |
| C24 | C25 | O26 | C27 | 23.1° | 40.7° |
| C25 | C24 | C31 | C27 | 33.1° | 0.4° |
| C25 | C24 | C31 | C30 | 144.7° | 110.1° |
| C25 | C24 | C31 | H31 | 93.8° | 123.5° |
| H24 | C24 | C25 | O26 | 159.3° | 143.1° |
| H24 | C24 | C25 | H25 | 39.3° | 24.3° |
| H24 | C24 | C25 | H25A | 80.7° | 98.0° |
| H24 | C24 | C31 | C27 | 158.4° | 119.2° |
| H24 | C24 | C31 | C30 | 90.0° | 131.2° |
| H24 | C24 | C31 | H31 | 31.5° | 4.8° |
| O26 | C25 | H25 | H25A | 121.4° | 122.3° |
| C25 | O26 | C27 | C31 | 0.6° | 40.3° |
| C25 | O26 | C27 | O28 | 115.9° | 152.6° |
| C25 | O26 | C27 | H27 | 121.7° | 82.1° |
| H25 | C25 | O26 | C27 | 96.9° | 78.2° |
| H25A | C25 | O26 | C27 | 143.1° | 159.6° |
| O26 | C27 | C31 | O28 | 117.1° | 114.9° |
| O26 | C27 | C31 | H27 | 120.6° | 122.3° |
| O26 | C27 | O28 | H27 | 120.6° | 125.3° |
| O26 | C27 | O28 | C29 | 129.2° | 72.3° |
| O26 | C27 | C31 | C30 | 139.6° | 90.4° |
| O26 | C27 | C31 | H31 | 100.0° | 146.7° |
| C31 | C27 | O28 | H27 | 122.1° | 122.9° |
| C31 | C27 | O28 | C29 | 11.9° | 39.6° |
| C27 | C31 | C30 | C29 | 24.3° | 1.9° |
| C27 | C31 | C30 | C43 | 87.6° | 110.8° |
| C27 | C31 | C30 | H31 | 127.2° | 123.6° |
| C27 | C31 | C30 | H30 | 150.7° | 121.7° |
| C27 | O28 | C29 | O41 | 117.9° | 153.0° |
| C27 | O28 | C29 | C30 | 3.8° | 38.0° |
| C27 | O28 | C29 | H29 | 119.3° | 83.5° |
| O28 | C27 | C31 | C30 | 22.5° | 24.5° |
| O28 | C27 | C31 | H31 | 142.8° | 98.4° |
| H27 | C27 | O28 | C29 | 110.2° | 162.4° |
| H27 | C27 | C31 | C30 | 99.7° | 147.3° |
| H27 | C27 | C31 | H31 | 20.6° | 24.4° |
| O28 | C29 | O41 | C30 | 114.6° | 113.0° |
| O28 | C29 | O41 | H29 | 122.4° | 123.6° |
| O28 | C29 | C30 | H29 | 122.3° | 121.5° |
| O28 | C29 | C30 | C43 | 101.2° | 92.8° |
| O28 | C29 | C30 | C31 | 17.9° | 21.1° |
| O28 | C29 | C30 | H30 | 138.1° | 144.5° |
| O28 | C29 | O41 | C42 | 76.6° | 113.6° |
| O41 | C29 | C30 | H29 | 122.7° | 123.3° |
| O41 | C29 | C30 | C43 | 13.8° | 22.4° |
| O41 | C29 | C30 | C31 | 132.8° | 136.3° |
| O41 | C29 | C30 | H30 | 106.9° | 100.2° |
| C29 | O41 | C42 | C43 | 46.2° | 23.2° |
| C29 | O41 | C42 | H42 | 73.8° | 142.9° |
| C29 | O41 | C42 | H42A | 166.2° | 95.0° |
| C29 | C30 | C43 | C31 | 112.5° | 110.5° |
| C29 | C30 | C43 | H30 | 126.3° | 122.4° |
| C29 | C30 | C31 | H30 | 126.4° | 123.6° |
| C29 | C30 | C31 | H31 | 151.5° | 121.7° |
| C30 | C29 | O41 | C42 | 38.0° | 0.6° |
| C29 | C30 | C43 | C42 | 14.1° | 34.2° |
| C29 | C30 | C43 | H43 | 105.9° | 152.7° |
| C29 | C30 | C43 | H43A | 134.1° | 83.3° |
| H29 | C29 | C30 | C43 | 136.5° | 145.7° |
| H29 | C29 | C30 | C31 | 104.5° | 100.4° |
| H29 | C29 | C30 | H30 | 15.8° | 23.1° |
| H29 | C29 | O41 | C42 | 161.1° | 122.7° |
| C43 | C30 | C31 | H30 | 121.8° | 127.5° |
| C43 | C30 | C31 | H31 | 39.6° | 12.8° |
| C30 | C43 | C42 | O41 | 37.1° | 36.0° |
| C30 | C43 | C42 | H43 | 120.0° | 118.1° |
| C30 | C43 | C42 | H43A | 120.0° | 117.7° |
| C30 | C43 | C42 | H42 | 82.9° | 155.2° |
| C30 | C43 | C42 | H42A | 157.1° | 82.5° |
| C30 | C43 | H43 | H43A | 122.1° | 124.2° |
| C31 | C30 | C43 | C42 | 98.4° | 144.8° |
| C31 | C30 | C43 | H43 | 141.6° | 96.8° |
| C31 | C30 | C43 | H43A | 21.6° | 27.3° |
| H30 | C30 | C31 | H31 | 82.1° | 114.7° |
| H30 | C30 | C43 | C42 | 140.4° | 88.1° |
| H30 | C30 | C43 | H43 | 20.4° | 30.3° |
| H30 | C30 | C43 | H43A | 99.6° | 154.4° |
| C38 | C32 | H32 | H32A | 119.4° | 119.9° |
| C32 | C38 | C33 | C34 | 178.9° | 179.7° |
| C32 | C38 | C33 | C37 | 179.5° | 179.8° |
| C32 | C38 | C33 | H33 | 1.1° | 0.0° |
| C32 | C38 | C37 | C36 | 179.5° | 179.7° |
| C32 | C38 | C37 | H37 | 0.4° | 0.2° |
| H32 | C32 | C38 | C33 | 13.1° | 30.1° |
| H32 | C32 | C38 | C37 | 167.4° | 149.7° |
| H32A | C32 | C38 | C33 | 133.1° | 150.0° |
| H32A | C32 | C38 | C37 | 47.4° | 29.7° |
| C34 | C33 | C38 | H33 | 180.0° | 179.7° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 4.8° | 0.0° |
| C33 | C34 | C35 | H35 | 175.2° | 179.9° |
| C34 | C33 | C38 | C37 | 0.5° | 0.0° |
| C38 | C33 | C34 | C35 | 2.9° | 0.0° |
| C38 | C33 | C34 | H34 | 177.1° | 180.0° |
| C33 | C38 | C37 | C36 | 0.1° | 0.0° |
| C33 | C38 | C37 | H37 | 179.9° | 180.0° |
| H33 | C33 | C34 | C35 | 177.0° | 179.7° |
| H33 | C33 | C34 | H34 | 3.0° | 0.3° |
| H33 | C33 | C38 | C37 | 179.4° | 179.7° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 4.3° | 0.0° |
| C34 | C35 | C36 | H36 | 175.7° | 180.0° |
| H34 | C34 | C35 | C36 | 175.2° | 180.0° |
| H34 | C34 | C35 | H35 | 4.8° | 0.1° |
| C35 | C36 | C37 | H36 | 180.0° | 179.9° |
| C35 | C36 | C37 | C38 | 1.8° | 0.0° |
| C35 | C36 | C37 | H37 | 178.2° | 180.0° |
| H35 | C35 | C36 | C37 | 175.7° | 179.9° |
| H35 | C35 | C36 | H36 | 4.3° | 0.0° |
| C36 | C37 | C38 | H37 | 180.0° | 180.0° |
| H36 | C36 | C37 | C38 | 178.2° | 180.0° |
| H36 | C36 | C37 | H37 | 1.8° | 0.0° |
| O39 | C40 | H40 | H40A | 120.0° | 120.0° |
| O39 | C40 | H40 | H40B | 120.0° | 120.1° |
| O39 | C40 | H40A | H40B | 120.0° | 120.1° |
| H40 | C40 | H40A | H40B | 120.0° | 119.9° |
| O41 | C42 | C43 | H42 | 120.0° | 119.2° |
| O41 | C42 | C43 | H42A | 120.0° | 118.5° |
| O41 | C42 | H42 | H42A | 123.1° | 122.1° |
| O41 | C42 | C43 | H43 | 82.9° | 154.1° |
| O41 | C42 | C43 | H43A | 157.1° | 81.7° |
| C43 | C42 | H42 | H42A | 123.1° | 122.0° |
| C42 | C43 | H43 | H43A | 122.1° | 124.1° |
| H42 | C42 | C43 | H43 | 157.1° | 86.7° |
| H42 | C42 | C43 | H43A | 37.1° | 37.5° |
| H42A | C42 | C43 | H43 | 37.1° | 35.6° |
| H42A | C42 | C43 | H43A | 82.9° | 159.8° |
