G04
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 | 1.37Å | |
| C2 | C7 | sing | 1.39Å | 1.39Å | 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 | 1.50Å | |
| S8 | N11 | sing | 1.66Å | 1.64Å | |
| N11 | C16 | sing | 1.46Å | 1.46Å | |
| N11 | C12 | sing | 1.47Å | 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 | 1.52Å | |
| 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 | 1.53Å | |
| 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 | 1.54Å | |
| C19 | N20 | sing | 1.46Å | 1.47Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| N20 | C21 | sing | 1.35Å | 1.34Å | |
| N20 | HN20 | sing | 0.97Å | 1.00Å | |
| O22 | C21 | doub | 1.21Å | 1.24Å | |
| C21 | O23 | sing | 1.35Å | 1.36Å | |
| O23 | C24 | sing | 1.45Å | 1.43Å | |
| C31 | C24 | sing | 1.54Å | 1.54Å | |
| C24 | C25 | sing | 1.54Å | 1.53Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| O26 | C25 | sing | 1.44Å | 1.43Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C27 | O26 | sing | 1.44Å | 1.42Å | |
| C31 | C27 | sing | 1.56Å | 1.52Å | |
| O28 | C27 | sing | 1.44Å | 1.43Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | O28 | sing | 1.44Å | 1.42Å | |
| C30 | C29 | sing | 1.54Å | 1.53Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| O41 | C30 | sing | 1.43Å | 1.45Å | |
| C30 | C31 | sing | 1.55Å | 1.54Å | |
| 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 | 1.39Å | Aromatic |
| C33 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | C36 | doub | 1.38Å | 1.40Å | 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 | 1.39Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| O39 | C40 | sing | 1.43Å | 1.44Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C40 | H40B | sing | 1.09Å | 1.10Å | |
| C42 | O41 | sing | 1.43Å | 1.42Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C42 | H42A | sing | 1.09Å | 1.10Å | |
| C42 | H42B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | O39 | 121.9° | 120.0° |
| C3 | C2 | C7 | 119.4° | 119.9° |
| C2 | C3 | C4 | 121.1° | 119.9° |
| C2 | C3 | H3 | 119.5° | 120.0° |
| O39 | C2 | C7 | 118.6° | 120.1° |
| C2 | O39 | C40 | 107.2° | 117.0° |
| C2 | C7 | C6 | 117.9° | 119.9° |
| C2 | C7 | H7 | 121.0° | 120.0° |
| C4 | C3 | H3 | 119.4° | 120.0° |
| C3 | C4 | C5 | 120.1° | 120.1° |
| C3 | C4 | H4 | 119.9° | 119.9° |
| C5 | C4 | H4 | 120.0° | 120.0° |
| C4 | C5 | C6 | 117.3° | 120.1° |
| C4 | C5 | S8 | 121.2° | 120.0° |
| C6 | C5 | S8 | 121.4° | 120.0° |
| C5 | C6 | C7 | 123.8° | 120.1° |
| C5 | C6 | H6 | 118.1° | 119.9° |
| C5 | S8 | O9 | 107.1° | 106.4° |
| C5 | S8 | O10 | 108.8° | 106.4° |
| C5 | S8 | N11 | 110.8° | 107.2° |
| C7 | C6 | H6 | 118.1° | 120.0° |
| C6 | C7 | H7 | 121.1° | 120.1° |
| O9 | S8 | O10 | 112.9° | 123.1° |
| O9 | S8 | N11 | 108.2° | 106.4° |
| O10 | S8 | N11 | 109.1° | 106.5° |
| S8 | N11 | C16 | 118.3° | 120.0° |
| S8 | N11 | C12 | 114.9° | 120.0° |
| C16 | N11 | C12 | 112.7° | 120.0° |
| N11 | C16 | C17 | 111.1° | 109.4° |
| N11 | C16 | H16 | 108.9° | 109.5° |
| N11 | C16 | H16A | 108.9° | 109.5° |
| N11 | C12 | C13 | 114.6° | 109.5° |
| N11 | C12 | H12 | 107.8° | 109.5° |
| N11 | C12 | H12A | 107.8° | 109.4° |
| C13 | C12 | H12 | 107.8° | 109.5° |
| C13 | C12 | H12A | 107.8° | 109.5° |
| C12 | C13 | C14 | 113.9° | 109.4° |
| C12 | C13 | C15 | 108.8° | 109.5° |
| C12 | C13 | H13 | 106.9° | 109.5° |
| H12 | C12 | H12A | 111.1° | 109.4° |
| C14 | C13 | C15 | 109.6° | 109.5° |
| C14 | C13 | H13 | 106.2° | 109.4° |
| C13 | C14 | H14 | 109.5° | 109.5° |
| C13 | C14 | H14A | 109.5° | 109.4° |
| C13 | C14 | H14B | 109.5° | 109.4° |
| C15 | C13 | H13 | 111.5° | 109.5° |
| C13 | C15 | H15 | 109.5° | 109.5° |
| C13 | C15 | H15A | 109.5° | 109.5° |
| C13 | C15 | H15B | 109.5° | 109.5° |
| H14 | C14 | H14A | 109.5° | 109.5° |
| H14 | C14 | H14B | 109.5° | 109.5° |
| H14A | C14 | H14B | 109.4° | 109.5° |
| H15 | C15 | H15A | 109.5° | 109.5° |
| H15 | C15 | H15B | 109.4° | 109.5° |
| H15A | C15 | H15B | 109.5° | 109.4° |
| C17 | C16 | H16 | 108.9° | 109.4° |
| C17 | C16 | H16A | 108.9° | 109.5° |
| C16 | C17 | C19 | 113.0° | 109.5° |
| C16 | C17 | O18 | 113.0° | 109.5° |
| C16 | C17 | H17 | 104.5° | 109.5° |
| H16 | C16 | H16A | 110.0° | 109.5° |
| C19 | C17 | O18 | 110.0° | 109.5° |
| C19 | C17 | H17 | 107.9° | 109.5° |
| C17 | C19 | C32 | 112.3° | 109.5° |
| C17 | C19 | N20 | 108.6° | 109.5° |
| C17 | C19 | H19 | 107.8° | 109.5° |
| O18 | C17 | H17 | 108.0° | 109.4° |
| C17 | O18 | HO18 | 109.5° | 114.0° |
| C32 | C19 | N20 | 108.2° | 109.5° |
| C32 | C19 | H19 | 108.1° | 109.4° |
| C19 | C32 | C38 | 110.2° | 109.5° |
| C19 | C32 | H32 | 109.2° | 109.5° |
| C19 | C32 | H32A | 109.2° | 109.5° |
| N20 | C19 | H19 | 111.9° | 109.4° |
| C19 | N20 | C21 | 125.4° | 120.0° |
| C19 | N20 | HN20 | 117.3° | 120.0° |
| C21 | N20 | HN20 | 117.3° | 120.0° |
| N20 | C21 | O22 | 121.9° | 120.0° |
| N20 | C21 | O23 | 115.0° | 120.0° |
| O22 | C21 | O23 | 123.1° | 120.0° |
| C21 | O23 | C24 | 116.8° | 117.0° |
| O23 | C24 | C31 | 109.8° | 110.4° |
| O23 | C24 | C25 | 107.4° | 110.4° |
| O23 | C24 | H24 | 107.9° | 110.5° |
| C31 | C24 | C25 | 99.5° | 104.2° |
| C31 | C24 | H24 | 114.8° | 110.6° |
| C24 | C31 | C27 | 103.5° | 104.0° |
| C24 | C31 | C30 | 114.2° | 108.6° |
| C24 | C31 | H31 | 108.4° | 112.7° |
| C25 | C24 | H24 | 117.0° | 110.5° |
| C24 | C25 | O26 | 104.5° | 104.8° |
| C24 | C25 | H25 | 111.2° | 110.4° |
| C24 | C25 | H25A | 111.1° | 110.4° |
| O26 | C25 | H25 | 111.2° | 110.3° |
| O26 | C25 | H25A | 111.2° | 110.5° |
| C25 | O26 | C27 | 109.7° | 105.5° |
| H25 | C25 | H25A | 107.7° | 110.4° |
| O26 | C27 | C31 | 106.7° | 104.7° |
| O26 | C27 | O28 | 111.0° | 108.6° |
| O26 | C27 | H27 | 109.9° | 112.5° |
| C31 | C27 | O28 | 108.4° | 105.3° |
| C31 | C27 | H27 | 112.5° | 112.7° |
| C27 | C31 | C30 | 102.6° | 103.5° |
| C27 | C31 | H31 | 119.0° | 114.4° |
| O28 | C27 | H27 | 108.3° | 112.6° |
| C27 | O28 | C29 | 110.3° | 105.6° |
| O28 | C29 | C30 | 106.7° | 104.8° |
| O28 | C29 | H29 | 110.4° | 110.4° |
| O28 | C29 | H29A | 110.4° | 110.4° |
| C30 | C29 | H29 | 110.4° | 110.3° |
| C30 | C29 | H29A | 110.4° | 110.4° |
| C29 | C30 | O41 | 109.1° | 110.5° |
| C29 | C30 | C31 | 103.5° | 104.3° |
| C29 | C30 | H30 | 111.9° | 110.5° |
| H29 | C29 | H29A | 108.5° | 110.4° |
| O41 | C30 | C31 | 104.0° | 110.1° |
| O41 | C30 | H30 | 111.4° | 110.5° |
| C30 | O41 | C42 | 110.9° | 114.0° |
| C31 | C30 | H30 | 116.4° | 110.8° |
| C30 | C31 | H31 | 109.2° | 112.8° |
| C38 | C32 | H32 | 109.3° | 109.5° |
| C38 | C32 | H32A | 109.2° | 109.5° |
| C32 | C38 | C33 | 120.4° | 120.0° |
| C32 | C38 | C37 | 121.5° | 120.0° |
| H32 | C32 | H32A | 109.7° | 109.4° |
| C34 | C33 | C38 | 121.5° | 120.0° |
| C34 | C33 | H33 | 119.2° | 120.0° |
| C33 | C34 | C35 | 120.9° | 120.0° |
| C33 | C34 | H34 | 119.5° | 120.0° |
| C38 | C33 | H33 | 119.3° | 120.0° |
| C33 | C38 | C37 | 118.1° | 120.0° |
| C35 | C34 | H34 | 119.6° | 120.0° |
| C34 | C35 | C36 | 117.2° | 120.0° |
| C34 | C35 | H35 | 121.4° | 120.0° |
| C36 | C35 | H35 | 121.4° | 119.9° |
| C35 | C36 | C37 | 121.9° | 119.9° |
| C35 | C36 | H36 | 119.1° | 120.0° |
| C37 | C36 | H36 | 119.0° | 120.0° |
| C36 | C37 | C38 | 120.3° | 120.0° |
| C36 | C37 | H37 | 119.8° | 119.9° |
| C38 | C37 | H37 | 119.9° | 120.0° |
| O39 | C40 | H40 | 109.5° | 109.5° |
| O39 | C40 | H40A | 109.4° | 109.4° |
| O39 | C40 | H40B | 109.5° | 109.5° |
| H40 | C40 | H40A | 109.5° | 109.5° |
| H40 | C40 | H40B | 109.4° | 109.5° |
| H40A | C40 | H40B | 109.5° | 109.4° |
| O41 | C42 | H42 | 109.5° | 109.5° |
| O41 | C42 | H42A | 109.5° | 109.5° |
| O41 | C42 | H42B | 109.5° | 109.5° |
| H42 | C42 | H42A | 109.4° | 109.5° |
| H42 | C42 | H42B | 109.5° | 109.4° |
| H42A | C42 | H42B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | O39 | C7 | 176.2° | 179.7° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 7.2° | 0.0° |
| C2 | C3 | C4 | H4 | 172.8° | 180.0° |
| C3 | C2 | C7 | C6 | 0.8° | 0.0° |
| C3 | C2 | C7 | H7 | 179.2° | 180.0° |
| C3 | C2 | O39 | C40 | 170.5° | 0.2° |
| O39 | C2 | C3 | C4 | 179.0° | 179.7° |
| O39 | C2 | C3 | H3 | 1.0° | 0.3° |
| O39 | C2 | C7 | C6 | 175.5° | 179.7° |
| O39 | C2 | C7 | H7 | 4.5° | 0.3° |
| C2 | O39 | C40 | H40 | 180.0° | 60.0° |
| C2 | O39 | C40 | H40A | 60.0° | 60.0° |
| C2 | O39 | C40 | H40B | 60.0° | 180.0° |
| C7 | C2 | C3 | C4 | 2.8° | 0.0° |
| C7 | C2 | C3 | H3 | 177.2° | 180.0° |
| C2 | C7 | C6 | C5 | 0.1° | 0.0° |
| C2 | C7 | C6 | H7 | 180.0° | 180.0° |
| C2 | C7 | C6 | H6 | 179.9° | 179.9° |
| C7 | C2 | O39 | C40 | 13.3° | 179.9° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 7.6° | 0.0° |
| C3 | C4 | C5 | S8 | 176.5° | 180.0° |
| H3 | C3 | C4 | C5 | 172.8° | 180.0° |
| H3 | C3 | C4 | H4 | 7.2° | 0.0° |
| C4 | C5 | C6 | S8 | 176.0° | 180.0° |
| C4 | C5 | C6 | C7 | 4.1° | 0.0° |
| C4 | C5 | C6 | H6 | 175.9° | 180.0° |
| C4 | C5 | S8 | O9 | 27.3° | 156.4° |
| C4 | C5 | S8 | O10 | 149.6° | 23.6° |
| C4 | C5 | S8 | N11 | 90.5° | 90.0° |
| H4 | C4 | C5 | C6 | 172.4° | 180.0° |
| H4 | C4 | C5 | S8 | 3.5° | 0.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | H7 | 179.9° | 180.0° |
| C6 | C5 | S8 | O9 | 148.5° | 23.6° |
| C6 | C5 | S8 | O10 | 26.2° | 156.4° |
| C6 | C5 | S8 | N11 | 93.7° | 90.0° |
| S8 | C5 | C6 | C7 | 180.0° | 180.0° |
| S8 | C5 | C6 | H6 | 0.1° | 0.0° |
| C5 | S8 | O9 | O10 | 119.7° | 122.9° |
| C5 | S8 | O9 | N11 | 119.4° | 114.1° |
| C5 | S8 | O10 | N11 | 120.9° | 114.1° |
| C5 | S8 | N11 | C16 | 84.0° | 90.0° |
| C5 | S8 | N11 | C12 | 53.1° | 90.0° |
| H6 | C6 | C7 | H7 | 0.0° | 0.1° |
| O9 | S8 | O10 | N11 | 120.3° | 122.9° |
| O9 | S8 | N11 | C16 | 33.1° | 23.6° |
| O9 | S8 | N11 | C12 | 170.2° | 156.5° |
| O10 | S8 | N11 | C16 | 156.3° | 156.5° |
| O10 | S8 | N11 | C12 | 66.6° | 23.6° |
| S8 | N11 | C16 | C12 | 137.9° | 179.9° |
| S8 | N11 | C12 | C13 | 132.5° | 93.1° |
| S8 | N11 | C12 | H12 | 12.6° | 146.8° |
| S8 | N11 | C12 | H12A | 107.5° | 26.9° |
| S8 | N11 | C16 | C17 | 118.3° | 94.1° |
| S8 | N11 | C16 | H16 | 121.7° | 145.9° |
| S8 | N11 | C16 | H16A | 1.6° | 25.9° |
| C16 | N11 | C12 | C13 | 88.0° | 86.8° |
| C16 | N11 | C12 | H12 | 152.0° | 33.2° |
| C16 | N11 | C12 | H12A | 32.0° | 153.2° |
| N11 | C16 | C17 | H16 | 120.0° | 120.0° |
| N11 | C16 | C17 | H16A | 120.0° | 119.9° |
| N11 | C16 | H16 | H16A | 119.4° | 120.0° |
| N11 | C16 | C17 | C19 | 70.0° | 175.0° |
| N11 | C16 | C17 | O18 | 164.2° | 65.0° |
| N11 | C16 | C17 | H17 | 47.0° | 55.0° |
| N11 | C12 | C13 | H12 | 120.0° | 120.1° |
| N11 | C12 | C13 | H12A | 120.0° | 120.0° |
| N11 | C12 | H12 | H12A | 117.9° | 120.0° |
| N11 | C12 | C13 | C14 | 43.5° | 63.1° |
| N11 | C12 | C13 | C15 | 166.0° | 176.9° |
| N11 | C12 | C13 | H13 | 73.4° | 56.9° |
| C12 | N11 | C16 | C17 | 103.7° | 86.0° |
| C12 | N11 | C16 | H16 | 16.3° | 34.0° |
| C12 | N11 | C16 | H16A | 136.3° | 154.1° |
| C13 | C12 | H12 | H12A | 117.9° | 120.0° |
| C12 | C13 | C14 | C15 | 122.1° | 120.0° |
| C12 | C13 | C14 | H13 | 117.4° | 120.0° |
| C12 | C13 | C15 | H13 | 117.7° | 120.0° |
| C12 | C13 | C14 | H14 | 180.0° | 172.8° |
| C12 | C13 | C14 | H14A | 60.0° | 67.3° |
| C12 | C13 | C14 | H14B | 60.0° | 52.8° |
| C12 | C13 | C15 | H15 | 180.0° | 60.1° |
| C12 | C13 | C15 | H15A | 60.0° | 180.0° |
| C12 | C13 | C15 | H15B | 60.0° | 60.0° |
| H12 | C12 | C13 | C14 | 76.5° | 57.0° |
| H12 | C12 | C13 | C15 | 46.1° | 63.0° |
| H12 | C12 | C13 | H13 | 166.6° | 176.9° |
| H12A | C12 | C13 | C14 | 163.5° | 176.9° |
| H12A | C12 | C13 | C15 | 74.0° | 56.9° |
| H12A | C12 | C13 | H13 | 46.5° | 63.1° |
| C14 | C13 | C15 | H13 | 117.2° | 120.0° |
| C13 | C14 | H14 | H14A | 120.0° | 120.0° |
| C13 | C14 | H14 | H14B | 120.0° | 120.0° |
| C13 | C14 | H14A | H14B | 120.0° | 120.0° |
| C14 | C13 | C15 | H15 | 54.9° | 180.0° |
| C14 | C13 | C15 | H15A | 65.1° | 60.0° |
| C14 | C13 | C15 | H15B | 174.9° | 59.9° |
| C15 | C13 | C14 | H14 | 57.9° | 52.8° |
| C15 | C13 | C14 | H14A | 177.9° | 172.7° |
| C15 | C13 | C14 | H14B | 62.1° | 67.2° |
| C13 | C15 | H15 | H15A | 120.0° | 120.0° |
| C13 | C15 | H15 | H15B | 120.0° | 120.1° |
| C13 | C15 | H15A | H15B | 120.0° | 120.0° |
| H13 | C13 | C14 | H14 | 62.6° | 67.3° |
| H13 | C13 | C14 | H14A | 57.4° | 52.7° |
| H13 | C13 | C14 | H14B | 177.4° | 172.7° |
| H13 | C13 | C15 | H15 | 62.3° | 60.0° |
| H13 | C13 | C15 | H15A | 177.7° | 60.0° |
| H13 | C13 | C15 | H15B | 57.7° | 179.9° |
| H14 | C14 | H14A | H14B | 120.0° | 120.1° |
| H15 | C15 | H15A | H15B | 120.0° | 120.0° |
| C17 | C16 | H16 | H16A | 119.3° | 120.0° |
| C16 | C17 | C19 | O18 | 127.4° | 120.0° |
| C16 | C17 | C19 | H17 | 115.1° | 120.0° |
| C16 | C17 | O18 | H17 | 115.1° | 120.0° |
| C16 | C17 | O18 | HO18 | 180.0° | 60.1° |
| C16 | C17 | C19 | C32 | 69.4° | 65.0° |
| C16 | C17 | C19 | N20 | 171.0° | 175.0° |
| C16 | C17 | C19 | H19 | 49.6° | 55.0° |
| H16 | C16 | C17 | C19 | 170.0° | 65.0° |
| H16 | C16 | C17 | O18 | 44.2° | 55.0° |
| H16 | C16 | C17 | H17 | 73.0° | 175.0° |
| H16A | C16 | C17 | C19 | 50.0° | 55.0° |
| H16A | C16 | C17 | O18 | 75.8° | 175.1° |
| H16A | C16 | C17 | H17 | 167.0° | 65.0° |
| C19 | C17 | O18 | H17 | 117.5° | 120.0° |
| C19 | C17 | O18 | HO18 | 52.6° | 60.0° |
| C17 | C19 | C32 | N20 | 119.8° | 120.1° |
| C17 | C19 | C32 | H19 | 118.8° | 120.0° |
| C17 | C19 | N20 | H19 | 118.9° | 120.0° |
| C17 | C19 | N20 | C21 | 113.0° | 155.0° |
| C17 | C19 | N20 | HN20 | 67.0° | 25.1° |
| C17 | C19 | C32 | C38 | 178.4° | 175.0° |
| C17 | C19 | C32 | H32 | 58.4° | 65.0° |
| C17 | C19 | C32 | H32A | 61.6° | 54.9° |
| O18 | C17 | C19 | C32 | 58.0° | 55.1° |
| O18 | C17 | C19 | N20 | 61.6° | 65.0° |
| O18 | C17 | C19 | H19 | 177.0° | 175.0° |
| H17 | C17 | O18 | HO18 | 64.9° | 179.9° |
| H17 | C17 | C19 | C32 | 175.5° | 175.0° |
| H17 | C17 | C19 | N20 | 55.9° | 54.9° |
| H17 | C17 | C19 | H19 | 65.5° | 65.0° |
| C32 | C19 | N20 | H19 | 119.0° | 120.0° |
| C32 | C19 | N20 | C21 | 124.9° | 85.0° |
| C32 | C19 | N20 | HN20 | 55.1° | 95.0° |
| C19 | C32 | C38 | H32 | 120.0° | 120.0° |
| C19 | C32 | C38 | H32A | 120.0° | 120.1° |
| C19 | C32 | H32 | H32A | 119.7° | 120.0° |
| C19 | C32 | C38 | C33 | 105.0° | 90.0° |
| C19 | C32 | C38 | C37 | 74.2° | 90.3° |
| C19 | N20 | C21 | HN20 | 180.0° | 179.9° |
| C19 | N20 | C21 | O22 | 0.8° | 0.0° |
| C19 | N20 | C21 | O23 | 178.8° | 180.0° |
| N20 | C19 | C32 | C38 | 58.6° | 65.0° |
| N20 | C19 | C32 | H32 | 61.4° | 55.0° |
| N20 | C19 | C32 | H32A | 178.6° | 175.0° |
| H19 | C19 | N20 | C21 | 5.9° | 35.0° |
| H19 | C19 | N20 | HN20 | 174.1° | 145.0° |
| H19 | C19 | C32 | C38 | 62.8° | 55.0° |
| H19 | C19 | C32 | H32 | 177.2° | 175.0° |
| H19 | C19 | C32 | H32A | 57.2° | 65.1° |
| N20 | C21 | O22 | O23 | 179.6° | 180.0° |
| N20 | C21 | O23 | C24 | 176.1° | 180.0° |
| HN20 | N20 | C21 | O22 | 179.2° | 180.0° |
| HN20 | N20 | C21 | O23 | 1.2° | 0.0° |
| O22 | C21 | O23 | C24 | 3.5° | 0.0° |
| C21 | O23 | C24 | C31 | 119.5° | 153.8° |
| C21 | O23 | C24 | C25 | 133.3° | 91.5° |
| C21 | O23 | C24 | H24 | 6.3° | 31.1° |
| O23 | C24 | C31 | C25 | 112.5° | 118.6° |
| O23 | C24 | C31 | H24 | 121.7° | 122.6° |
| O23 | C24 | C25 | H24 | 121.3° | 122.5° |
| O23 | C24 | C25 | O26 | 75.5° | 143.1° |
| O23 | C24 | C25 | H25 | 164.5° | 98.1° |
| O23 | C24 | C25 | H25A | 44.5° | 24.2° |
| O23 | C24 | C31 | C27 | 77.0° | 119.4° |
| O23 | C24 | C31 | C30 | 33.8° | 9.7° |
| O23 | C24 | C31 | H31 | 155.8° | 116.1° |
| C31 | C24 | C25 | H24 | 124.3° | 118.9° |
| C31 | C24 | C25 | O26 | 38.8° | 24.5° |
| C31 | C24 | C25 | H25 | 81.2° | 143.3° |
| C31 | C24 | C25 | H25A | 158.9° | 94.4° |
| C24 | C31 | C27 | O26 | 20.7° | 23.1° |
| C24 | C31 | C27 | C30 | 119.1° | 113.5° |
| C24 | C31 | C27 | H31 | 120.3° | 123.3° |
| C24 | C31 | C27 | O28 | 99.0° | 91.3° |
| C24 | C31 | C27 | H27 | 141.3° | 145.7° |
| C24 | C31 | C30 | C29 | 83.3° | 111.8° |
| C24 | C31 | C30 | O41 | 162.7° | 129.7° |
| C24 | C31 | C30 | H31 | 121.5° | 125.7° |
| C24 | C31 | C30 | H30 | 39.9° | 7.1° |
| C24 | C25 | O26 | H25 | 120.0° | 118.8° |
| C24 | C25 | O26 | H25A | 120.0° | 118.9° |
| C24 | C25 | H25 | H25A | 122.0° | 122.3° |
| C24 | C25 | O26 | C27 | 28.1° | 40.7° |
| C25 | C24 | C31 | C27 | 35.5° | 0.8° |
| C25 | C24 | C31 | C30 | 146.3° | 108.9° |
| C25 | C24 | C31 | H31 | 91.8° | 125.3° |
| H24 | C24 | C25 | O26 | 163.1° | 94.3° |
| H24 | C24 | C25 | H25 | 43.1° | 24.4° |
| H24 | C24 | C25 | H25A | 76.9° | 146.7° |
| H24 | C24 | C31 | C27 | 161.3° | 118.0° |
| H24 | C24 | C31 | C30 | 87.9° | 132.3° |
| H24 | C24 | C31 | H31 | 34.1° | 6.5° |
| O26 | C25 | H25 | H25A | 122.0° | 122.4° |
| C25 | O26 | C27 | C31 | 4.5° | 40.0° |
| C25 | O26 | C27 | O28 | 122.4° | 72.1° |
| C25 | O26 | C27 | H27 | 117.8° | 162.7° |
| H25 | C25 | O26 | C27 | 92.0° | 159.5° |
| H25A | C25 | O26 | C27 | 148.0° | 78.3° |
| O26 | C27 | C31 | O28 | 119.6° | 114.4° |
| O26 | C27 | C31 | H27 | 120.6° | 122.6° |
| O26 | C27 | O28 | H27 | 120.8° | 125.2° |
| O26 | C27 | O28 | C29 | 120.3° | 151.1° |
| O26 | C27 | C31 | C30 | 139.7° | 136.6° |
| O26 | C27 | C31 | H31 | 99.6° | 100.2° |
| C31 | C27 | O28 | H27 | 122.3° | 123.1° |
| C31 | C27 | O28 | C29 | 3.3° | 39.5° |
| C27 | C31 | C30 | C29 | 28.1° | 1.7° |
| C27 | C31 | C30 | O41 | 86.0° | 120.3° |
| C27 | C31 | C30 | H31 | 127.2° | 124.2° |
| C27 | C31 | C30 | H30 | 151.2° | 117.2° |
| C27 | O28 | C29 | C30 | 15.3° | 40.6° |
| C27 | O28 | C29 | H29 | 135.3° | 78.2° |
| C27 | O28 | C29 | H29A | 104.7° | 159.5° |
| O28 | C27 | C31 | C30 | 20.1° | 22.2° |
| O28 | C27 | C31 | H31 | 140.8° | 145.4° |
| H27 | C27 | O28 | C29 | 118.9° | 83.6° |
| H27 | C27 | C31 | C30 | 99.6° | 100.8° |
| H27 | C27 | C31 | H31 | 21.0° | 22.3° |
| O28 | C29 | C30 | H29 | 120.0° | 118.8° |
| O28 | C29 | C30 | H29A | 120.0° | 118.9° |
| O28 | C29 | H29 | H29A | 121.1° | 122.3° |
| O28 | C29 | C30 | O41 | 83.0° | 143.3° |
| O28 | C29 | C30 | C31 | 27.3° | 25.0° |
| O28 | C29 | C30 | H30 | 153.3° | 94.1° |
| C30 | C29 | H29 | H29A | 121.1° | 122.3° |
| C29 | C30 | O41 | C31 | 109.9° | 114.6° |
| C29 | C30 | O41 | H30 | 124.0° | 122.7° |
| C29 | C30 | C31 | H30 | 123.1° | 118.9° |
| C29 | C30 | C31 | H31 | 155.2° | 122.5° |
| C29 | C30 | O41 | C42 | 92.3° | 91.5° |
| H29 | C29 | C30 | O41 | 37.0° | 24.5° |
| H29 | C29 | C30 | C31 | 147.3° | 93.8° |
| H29 | C29 | C30 | H30 | 86.6° | 147.1° |
| H29A | C29 | C30 | O41 | 157.0° | 97.8° |
| H29A | C29 | C30 | C31 | 92.7° | 144.0° |
| H29A | C29 | C30 | H30 | 33.4° | 24.9° |
| O41 | C30 | C31 | H30 | 122.9° | 122.5° |
| O41 | C30 | C31 | H31 | 41.2° | 4.0° |
| C30 | O41 | C42 | H42 | 180.0° | 60.0° |
| C30 | O41 | C42 | H42A | 60.0° | 60.0° |
| C30 | O41 | C42 | H42B | 60.0° | 179.9° |
| C31 | C30 | O41 | C42 | 157.8° | 153.9° |
| H30 | C30 | C31 | H31 | 81.6° | 118.6° |
| H30 | C30 | O41 | C42 | 31.7° | 31.2° |
| C38 | C32 | H32 | H32A | 119.7° | 120.0° |
| C32 | C38 | C33 | C34 | 176.7° | 179.7° |
| C32 | C38 | C33 | C37 | 179.3° | 179.7° |
| C32 | C38 | C33 | H33 | 3.3° | 0.0° |
| C32 | C38 | C37 | C36 | 178.4° | 179.7° |
| C32 | C38 | C37 | H37 | 1.6° | 0.2° |
| H32 | C32 | C38 | C33 | 15.0° | 30.0° |
| H32 | C32 | C38 | C37 | 165.8° | 149.7° |
| H32A | C32 | C38 | C33 | 135.0° | 150.0° |
| H32A | C32 | C38 | C37 | 45.8° | 29.8° |
| C34 | C33 | C38 | H33 | 180.0° | 179.7° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 1.3° | 0.1° |
| C33 | C34 | C35 | H35 | 178.7° | 180.0° |
| C34 | C33 | C38 | C37 | 2.6° | 0.0° |
| C38 | C33 | C34 | C35 | 2.9° | 0.0° |
| C38 | C33 | C34 | H34 | 177.1° | 180.0° |
| C33 | C38 | C37 | C36 | 0.9° | 0.0° |
| C33 | C38 | C37 | H37 | 179.1° | 180.0° |
| H33 | C33 | C34 | C35 | 177.1° | 179.8° |
| H33 | C33 | C34 | H34 | 2.9° | 0.3° |
| H33 | C33 | C38 | C37 | 177.4° | 179.7° |
| C34 | C35 | C36 | H35 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 0.3° | 0.1° |
| C34 | C35 | C36 | H36 | 179.6° | 180.0° |
| H34 | C34 | C35 | C36 | 178.7° | 180.0° |
| H34 | C34 | C35 | H35 | 1.3° | 0.0° |
| C35 | C36 | C37 | H36 | 180.0° | 179.9° |
| C35 | C36 | C37 | C38 | 0.5° | 0.0° |
| C35 | C36 | C37 | H37 | 179.4° | 180.0° |
| H35 | C35 | C36 | C37 | 179.7° | 180.0° |
| H35 | C35 | C36 | H36 | 0.4° | 0.1° |
| C36 | C37 | C38 | H37 | 180.0° | 180.0° |
| H36 | C36 | C37 | C38 | 179.4° | 180.0° |
| H36 | C36 | C37 | H37 | 0.6° | 0.1° |
| O39 | C40 | H40 | H40A | 120.0° | 120.0° |
| O39 | C40 | H40 | H40B | 120.0° | 120.0° |
| O39 | C40 | H40A | H40B | 120.0° | 120.0° |
| H40 | C40 | H40A | H40B | 119.9° | 120.0° |
| O41 | C42 | H42 | H42A | 120.0° | 120.0° |
| O41 | C42 | H42 | H42B | 120.0° | 120.0° |
| O41 | C42 | H42A | H42B | 120.0° | 120.1° |
| H42 | C42 | H42A | H42B | 120.0° | 120.0° |
