G89
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | O39 | sing | 1.36Å | 1.36Å | |
| C3 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | S8 | sing | 1.76Å | 1.75Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| S8 | O9 | doub | 1.42Å | 1.50Å | |
| S8 | O10 | doub | 1.42Å | 1.50Å | |
| S8 | N11 | sing | 1.66Å | 1.64Å | |
| N11 | C12 | sing | 1.46Å | 1.46Å | |
| N11 | C16 | sing | 1.47Å | 1.45Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | O18 | sing | 1.43Å | 1.42Å | |
| C17 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | N20 | sing | 1.47Å | 1.48Å | |
| C19 | C32 | sing | 1.53Å | 1.53Å | |
| N20 | C21 | sing | 1.35Å | 1.33Å | |
| C21 | O22 | doub | 1.22Å | 1.23Å | |
| C21 | O23 | sing | 1.35Å | 1.36Å | |
| O23 | C24 | sing | 1.45Å | 1.43Å | |
| C24 | C25 | sing | 1.54Å | 1.54Å | |
| C24 | C31 | sing | 1.55Å | 1.53Å | |
| C25 | C26 | sing | 1.54Å | 1.53Å | |
| C26 | O27 | sing | 1.44Å | 1.42Å | |
| C26 | C30 | sing | 1.55Å | 1.52Å | |
| O27 | C28 | sing | 1.44Å | 1.42Å | |
| C28 | C29 | sing | 1.54Å | 1.54Å | |
| C29 | C30 | sing | 1.54Å | 1.53Å | |
| C29 | O41 | sing | 1.43Å | 1.44Å | |
| C30 | C31 | sing | 1.55Å | 1.52Å | |
| C32 | C38 | sing | 1.51Å | 1.53Å | |
| C33 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.38Å | Aromatic |
| O39 | C40 | sing | 1.43Å | 1.41Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| 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 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| O18 | HO18 | sing | 0.97Å | 0.95Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| N20 | HN20 | sing | 0.97Å | 1.00Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C40 | H40B | sing | 1.09Å | 1.10Å | |
| O41 | HO41 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C7 | 120.0° | 119.9° |
| C3 | C2 | O39 | 123.6° | 120.0° |
| C2 | C3 | C4 | 121.3° | 119.9° |
| C2 | C3 | H3 | 119.4° | 120.0° |
| C7 | C2 | O39 | 116.4° | 120.1° |
| C2 | C7 | C6 | 118.2° | 120.0° |
| C2 | C7 | H7 | 120.9° | 120.0° |
| C2 | O39 | C40 | 111.7° | 117.0° |
| C3 | C4 | C5 | 118.5° | 120.1° |
| C4 | C3 | H3 | 119.4° | 120.0° |
| C3 | C4 | H4 | 120.7° | 120.0° |
| C4 | C5 | C6 | 120.1° | 120.1° |
| C4 | C5 | S8 | 119.6° | 119.9° |
| C5 | C4 | H4 | 120.7° | 120.0° |
| C6 | C5 | S8 | 120.2° | 120.0° |
| C5 | C6 | C7 | 121.9° | 120.1° |
| C5 | C6 | H6 | 119.1° | 120.0° |
| C5 | S8 | O9 | 108.3° | 106.4° |
| C5 | S8 | O10 | 107.5° | 106.4° |
| C5 | S8 | N11 | 111.3° | 107.2° |
| C7 | C6 | H6 | 119.0° | 119.9° |
| C6 | C7 | H7 | 120.9° | 120.0° |
| O9 | S8 | O10 | 114.6° | 123.2° |
| O9 | S8 | N11 | 108.0° | 106.4° |
| O10 | S8 | N11 | 107.2° | 106.4° |
| S8 | N11 | C12 | 113.5° | 120.0° |
| S8 | N11 | C16 | 113.6° | 120.0° |
| C12 | N11 | C16 | 118.1° | 120.0° |
| N11 | C12 | C13 | 111.8° | 109.5° |
| N11 | C12 | H12 | 108.7° | 109.5° |
| N11 | C12 | H12A | 108.7° | 109.4° |
| N11 | C16 | C17 | 110.8° | 109.5° |
| N11 | C16 | H16 | 109.0° | 109.4° |
| N11 | C16 | H16A | 109.1° | 109.5° |
| C12 | C13 | C14 | 111.1° | 109.5° |
| C12 | C13 | C15 | 111.5° | 109.5° |
| C13 | C12 | H12 | 108.7° | 109.5° |
| C13 | C12 | H12A | 108.7° | 109.5° |
| C12 | C13 | H13 | 106.1° | 109.5° |
| C14 | C13 | C15 | 106.5° | 109.5° |
| C14 | C13 | H13 | 111.1° | 109.4° |
| C13 | C14 | H14 | 109.5° | 109.5° |
| C13 | C14 | H14A | 109.5° | 109.5° |
| C13 | C14 | H14B | 109.5° | 109.5° |
| C15 | C13 | H13 | 110.6° | 109.4° |
| C13 | C15 | H15 | 109.5° | 109.5° |
| C13 | C15 | H15A | 109.5° | 109.5° |
| C13 | C15 | H15B | 109.5° | 109.4° |
| C16 | C17 | O18 | 113.0° | 109.5° |
| C16 | C17 | C19 | 113.9° | 109.4° |
| C17 | C16 | H16 | 109.0° | 109.5° |
| C17 | C16 | H16A | 109.0° | 109.5° |
| C16 | C17 | H17 | 104.2° | 109.4° |
| O18 | C17 | C19 | 111.0° | 109.5° |
| O18 | C17 | H17 | 107.5° | 109.5° |
| C17 | O18 | HO18 | 109.5° | 114.0° |
| C17 | C19 | N20 | 107.6° | 109.4° |
| C17 | C19 | C32 | 113.4° | 109.5° |
| C19 | C17 | H17 | 106.6° | 109.5° |
| C17 | C19 | H19 | 107.4° | 109.5° |
| N20 | C19 | C32 | 107.4° | 109.5° |
| C19 | N20 | C21 | 125.9° | 120.0° |
| N20 | C19 | H19 | 113.5° | 109.5° |
| C19 | N20 | HN20 | 117.0° | 120.0° |
| C19 | C32 | C38 | 110.0° | 109.4° |
| C32 | C19 | H19 | 107.7° | 109.5° |
| C19 | C32 | H32 | 109.3° | 109.5° |
| C19 | C32 | H32A | 109.3° | 109.5° |
| N20 | C21 | O22 | 123.5° | 120.0° |
| N20 | C21 | O23 | 116.4° | 120.0° |
| C21 | N20 | HN20 | 117.1° | 120.0° |
| O22 | C21 | O23 | 120.1° | 120.0° |
| C21 | O23 | C24 | 115.0° | 117.0° |
| O23 | C24 | C25 | 108.1° | 110.5° |
| O23 | C24 | C31 | 111.8° | 110.5° |
| O23 | C24 | H24 | 107.0° | 110.5° |
| C25 | C24 | C31 | 103.2° | 104.1° |
| C24 | C25 | C26 | 103.9° | 106.7° |
| C25 | C24 | H24 | 115.1° | 110.5° |
| C24 | C25 | H25 | 111.4° | 109.9° |
| C24 | C25 | H25A | 111.4° | 110.0° |
| C24 | C31 | C30 | 108.0° | 103.0° |
| C31 | C24 | H24 | 111.6° | 110.6° |
| C24 | C31 | H31 | 110.0° | 110.7° |
| C24 | C31 | H31A | 110.0° | 110.7° |
| C25 | C26 | O27 | 106.8° | 108.7° |
| C25 | C26 | C30 | 105.9° | 106.4° |
| C26 | C25 | H25 | 111.4° | 110.0° |
| C26 | C25 | H25A | 111.4° | 110.1° |
| C25 | C26 | H26 | 112.2° | 111.8° |
| O27 | C26 | C30 | 105.7° | 104.9° |
| C26 | O27 | C28 | 111.7° | 105.7° |
| O27 | C26 | H26 | 112.4° | 111.9° |
| C26 | C30 | C29 | 104.8° | 104.2° |
| C26 | C30 | C31 | 105.9° | 104.1° |
| C30 | C26 | H26 | 113.2° | 112.8° |
| C26 | C30 | H30 | 115.9° | 112.9° |
| O27 | C28 | C29 | 107.3° | 104.8° |
| O27 | C28 | H28 | 110.2° | 110.4° |
| O27 | C28 | H28A | 110.2° | 110.4° |
| C28 | C29 | C30 | 101.5° | 104.1° |
| C28 | C29 | O41 | 104.5° | 110.5° |
| C29 | C28 | H28 | 110.2° | 110.4° |
| C29 | C28 | H28A | 110.2° | 110.4° |
| C28 | C29 | H29 | 119.3° | 110.5° |
| C30 | C29 | O41 | 114.7° | 110.5° |
| C29 | C30 | C31 | 113.0° | 108.8° |
| C30 | C29 | H29 | 109.9° | 110.5° |
| C29 | C30 | H30 | 109.1° | 112.8° |
| O41 | C29 | H29 | 107.1° | 110.5° |
| C29 | O41 | HO41 | 109.5° | 114.0° |
| C31 | C30 | H30 | 108.1° | 113.3° |
| C30 | C31 | H31 | 110.0° | 110.8° |
| C30 | C31 | H31A | 110.0° | 110.7° |
| C32 | C38 | C33 | 120.5° | 120.0° |
| C32 | C38 | C37 | 120.6° | 120.0° |
| C38 | C32 | H32 | 109.3° | 109.5° |
| C38 | C32 | H32A | 109.3° | 109.5° |
| C34 | C33 | C38 | 120.9° | 120.0° |
| C33 | C34 | C35 | 121.0° | 120.0° |
| C34 | C33 | H33 | 119.6° | 120.0° |
| C33 | C34 | H34 | 119.5° | 120.1° |
| C33 | C38 | C37 | 118.9° | 120.0° |
| C38 | C33 | H33 | 119.5° | 120.0° |
| C34 | C35 | C36 | 117.3° | 120.0° |
| C35 | C34 | H34 | 119.5° | 120.0° |
| C34 | C35 | H35 | 121.4° | 120.0° |
| C35 | C36 | C37 | 121.9° | 120.0° |
| C36 | C35 | H35 | 121.3° | 120.0° |
| C35 | C36 | H36 | 119.1° | 120.0° |
| C36 | C37 | C38 | 119.8° | 120.0° |
| C37 | C36 | H36 | 119.0° | 120.0° |
| C36 | C37 | H37 | 120.1° | 120.0° |
| C38 | C37 | H37 | 120.1° | 120.0° |
| O39 | C40 | H40 | 109.5° | 109.5° |
| O39 | C40 | H40A | 109.5° | 109.4° |
| O39 | C40 | H40B | 109.4° | 109.5° |
| H12 | C12 | H12A | 110.2° | 109.4° |
| 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 | 109.5° | 109.5° |
| H15A | C15 | H15B | 109.5° | 109.4° |
| H16 | C16 | H16A | 109.9° | 109.4° |
| H25 | C25 | H25A | 107.5° | 110.1° |
| H28 | C28 | H28A | 108.7° | 110.4° |
| H31 | C31 | H31A | 109.0° | 110.7° |
| H32 | C32 | H32A | 109.6° | 109.5° |
| H40 | C40 | H40A | 109.4° | 109.4° |
| H40 | C40 | H40B | 109.5° | 109.5° |
| H40A | C40 | H40B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C7 | O39 | 178.3° | 179.7° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 1.8° | 0.0° |
| C3 | C2 | C7 | C6 | 1.7° | 0.0° |
| C3 | C2 | O39 | C40 | 4.1° | 180.0° |
| C2 | C3 | C4 | H4 | 178.2° | 180.0° |
| C3 | C2 | C7 | H7 | 178.3° | 180.0° |
| C7 | C2 | C3 | C4 | 0.6° | 0.0° |
| C2 | C7 | C6 | C5 | 2.9° | 0.1° |
| C2 | C7 | C6 | H7 | 180.0° | 180.0° |
| C7 | C2 | O39 | C40 | 177.7° | 0.3° |
| C7 | C2 | C3 | H3 | 179.4° | 180.0° |
| C2 | C7 | C6 | H6 | 177.1° | 180.0° |
| O39 | C2 | C3 | C4 | 178.8° | 179.7° |
| O39 | C2 | C7 | C6 | 176.6° | 179.7° |
| O39 | C2 | C3 | H3 | 1.2° | 0.3° |
| O39 | C2 | C7 | H7 | 3.5° | 0.3° |
| C2 | O39 | C40 | H40 | 180.0° | 59.9° |
| C2 | O39 | C40 | H40A | 60.0° | 60.0° |
| C2 | O39 | C40 | H40B | 60.0° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.7° | 0.0° |
| C3 | C4 | C5 | S8 | 175.7° | 180.0° |
| C4 | C5 | C6 | S8 | 176.4° | 179.9° |
| C4 | C5 | C6 | C7 | 1.7° | 0.1° |
| C4 | C5 | S8 | O9 | 148.3° | 156.5° |
| C4 | C5 | S8 | O10 | 23.9° | 23.5° |
| C4 | C5 | S8 | N11 | 93.1° | 90.0° |
| C5 | C4 | C3 | H3 | 178.2° | 180.0° |
| C4 | C5 | C6 | H6 | 178.3° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C6 | C5 | S8 | O9 | 35.3° | 23.5° |
| C6 | C5 | S8 | O10 | 159.6° | 156.5° |
| C6 | C5 | S8 | N11 | 83.3° | 90.0° |
| C6 | C5 | C4 | H4 | 179.3° | 180.0° |
| C5 | C6 | C7 | H7 | 177.1° | 180.0° |
| S8 | C5 | C6 | C7 | 178.1° | 180.0° |
| C5 | S8 | O9 | O10 | 120.0° | 123.0° |
| C5 | S8 | O9 | N11 | 120.7° | 114.1° |
| C5 | S8 | O10 | N11 | 119.7° | 114.1° |
| C5 | S8 | N11 | C12 | 53.3° | 90.0° |
| C5 | S8 | N11 | C16 | 85.4° | 90.0° |
| S8 | C5 | C4 | H4 | 4.3° | 0.0° |
| S8 | C5 | C6 | H6 | 1.9° | 0.0° |
| O9 | S8 | O10 | N11 | 119.8° | 123.0° |
| O9 | S8 | N11 | C12 | 172.1° | 23.5° |
| O9 | S8 | N11 | C16 | 33.4° | 156.5° |
| O10 | S8 | N11 | C12 | 64.0° | 156.4° |
| O10 | S8 | N11 | C16 | 157.3° | 23.5° |
| S8 | N11 | C12 | C16 | 136.7° | 179.9° |
| S8 | N11 | C12 | C13 | 144.0° | 95.0° |
| S8 | N11 | C16 | C17 | 118.3° | 95.1° |
| S8 | N11 | C12 | H12 | 24.0° | 145.0° |
| S8 | N11 | C12 | H12A | 96.0° | 25.1° |
| S8 | N11 | C16 | H16 | 121.7° | 145.0° |
| S8 | N11 | C16 | H16A | 1.7° | 25.0° |
| N11 | C12 | C13 | H12 | 120.0° | 120.0° |
| N11 | C12 | C13 | H12A | 120.0° | 120.0° |
| N11 | C12 | C13 | C14 | 63.1° | 175.0° |
| N11 | C12 | C13 | C15 | 178.2° | 65.0° |
| C12 | N11 | C16 | C17 | 105.1° | 85.0° |
| N11 | C12 | H12 | H12A | 119.1° | 119.9° |
| N11 | C12 | C13 | H13 | 57.6° | 55.0° |
| C12 | N11 | C16 | H16 | 14.9° | 35.0° |
| C12 | N11 | C16 | H16A | 134.9° | 154.9° |
| C16 | N11 | C12 | C13 | 79.4° | 85.0° |
| N11 | C16 | C17 | H16 | 120.0° | 119.9° |
| N11 | C16 | C17 | H16A | 120.0° | 120.1° |
| N11 | C16 | C17 | O18 | 161.9° | 65.0° |
| N11 | C16 | C17 | C19 | 70.3° | 175.0° |
| C16 | N11 | C12 | H12 | 160.6° | 35.1° |
| C16 | N11 | C12 | H12A | 40.6° | 155.0° |
| N11 | C16 | H16 | H16A | 119.5° | 120.0° |
| N11 | C16 | C17 | H17 | 45.4° | 55.0° |
| C12 | C13 | C14 | C15 | 121.6° | 120.1° |
| C12 | C13 | C14 | H13 | 117.8° | 120.0° |
| C12 | C13 | C15 | H13 | 117.8° | 120.0° |
| C13 | C12 | H12 | H12A | 119.1° | 120.0° |
| C12 | C13 | C14 | H14 | 180.0° | 60.0° |
| C12 | C13 | C14 | H14A | 60.0° | 180.0° |
| C12 | C13 | C14 | H14B | 60.0° | 60.0° |
| C12 | C13 | C15 | H15 | 180.0° | 60.0° |
| C12 | C13 | C15 | H15A | 60.0° | 180.0° |
| C12 | C13 | C15 | H15B | 60.0° | 60.0° |
| C14 | C13 | C15 | H13 | 120.8° | 120.0° |
| C14 | C13 | C12 | H12 | 56.8° | 54.9° |
| C14 | C13 | C12 | H12A | 176.9° | 65.1° |
| 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 | 58.6° | 180.0° |
| C14 | C13 | C15 | H15A | 61.4° | 59.9° |
| C14 | C13 | C15 | H15B | 178.6° | 60.0° |
| C15 | C13 | C12 | H12 | 61.9° | 175.0° |
| C15 | C13 | C12 | H12A | 58.2° | 55.0° |
| C15 | C13 | C14 | H14 | 58.3° | 60.0° |
| C15 | C13 | C14 | H14A | 178.4° | 59.9° |
| C15 | C13 | C14 | H14B | 61.6° | 180.0° |
| C13 | C15 | H15 | H15A | 120.0° | 120.0° |
| C13 | C15 | H15 | H15B | 120.0° | 120.0° |
| C13 | C15 | H15A | H15B | 120.0° | 119.9° |
| C16 | C17 | O18 | C19 | 129.4° | 120.0° |
| C16 | C17 | O18 | H17 | 114.4° | 120.0° |
| C16 | C17 | C19 | H17 | 114.3° | 120.0° |
| C16 | C17 | C19 | N20 | 168.1° | 175.0° |
| C16 | C17 | C19 | C32 | 73.3° | 65.0° |
| C17 | C16 | H16 | H16A | 119.4° | 120.1° |
| C16 | C17 | O18 | HO18 | 180.0° | 60.0° |
| C16 | C17 | C19 | H19 | 45.6° | 55.0° |
| O18 | C17 | C19 | H17 | 116.8° | 120.0° |
| O18 | C17 | C19 | N20 | 62.9° | 65.0° |
| O18 | C17 | C19 | C32 | 55.7° | 55.0° |
| O18 | C17 | C16 | H16 | 41.9° | 55.0° |
| O18 | C17 | C16 | H16A | 78.1° | 175.0° |
| O18 | C17 | C19 | H19 | 174.5° | 175.0° |
| C17 | C19 | N20 | C32 | 122.4° | 120.0° |
| C17 | C19 | N20 | H19 | 118.7° | 120.0° |
| C17 | C19 | C32 | H19 | 118.7° | 120.0° |
| C17 | C19 | N20 | C21 | 108.1° | 155.0° |
| C17 | C19 | C32 | C38 | 178.3° | 175.0° |
| C19 | C17 | C16 | H16 | 169.8° | 65.0° |
| C19 | C17 | C16 | H16A | 49.8° | 55.0° |
| C19 | C17 | O18 | HO18 | 50.6° | 60.0° |
| C17 | C19 | N20 | HN20 | 71.9° | 25.0° |
| C17 | C19 | C32 | H32 | 61.7° | 65.0° |
| C17 | C19 | C32 | H32A | 58.3° | 55.0° |
| N20 | C19 | C32 | H19 | 122.5° | 120.0° |
| C19 | N20 | C21 | HN20 | 180.0° | 180.0° |
| C19 | N20 | C21 | O22 | 1.7° | 0.1° |
| C19 | N20 | C21 | O23 | 179.1° | 180.0° |
| N20 | C19 | C32 | C38 | 63.0° | 65.0° |
| N20 | C19 | C17 | H17 | 53.9° | 55.0° |
| N20 | C19 | C32 | H32 | 57.1° | 55.0° |
| N20 | C19 | C32 | H32A | 177.1° | 175.0° |
| C32 | C19 | N20 | C21 | 129.5° | 85.0° |
| C19 | C32 | C38 | H32 | 120.0° | 120.0° |
| C19 | C32 | C38 | H32A | 120.0° | 120.0° |
| C19 | C32 | C38 | C33 | 109.9° | 90.0° |
| C19 | C32 | C38 | C37 | 70.5° | 90.0° |
| C32 | C19 | C17 | H17 | 172.4° | 175.0° |
| C32 | C19 | N20 | HN20 | 50.5° | 95.0° |
| C19 | C32 | H32 | H32A | 119.8° | 120.1° |
| N20 | C21 | O22 | O23 | 179.2° | 179.9° |
| N20 | C21 | O23 | C24 | 171.7° | 180.0° |
| C21 | N20 | C19 | H19 | 10.6° | 35.0° |
| O22 | C21 | O23 | C24 | 9.1° | 0.1° |
| O22 | C21 | N20 | HN20 | 178.3° | 179.9° |
| C21 | O23 | C24 | C25 | 172.9° | 91.5° |
| C21 | O23 | C24 | C31 | 74.1° | 153.8° |
| O23 | C21 | N20 | HN20 | 0.9° | 0.0° |
| C21 | O23 | C24 | H24 | 48.4° | 31.0° |
| O23 | C24 | C25 | C31 | 118.5° | 118.7° |
| O23 | C24 | C25 | H24 | 119.6° | 122.5° |
| O23 | C24 | C31 | H24 | 119.8° | 122.7° |
| O23 | C24 | C25 | C26 | 83.1° | 142.7° |
| O23 | C24 | C31 | C30 | 91.4° | 156.7° |
| O23 | C24 | C25 | H25 | 156.9° | 98.0° |
| O23 | C24 | C25 | H25A | 36.9° | 23.3° |
| O23 | C24 | C31 | H31 | 28.6° | 38.3° |
| O23 | C24 | C31 | H31A | 148.6° | 84.9° |
| C25 | C24 | C31 | H24 | 124.2° | 118.7° |
| C24 | C25 | C26 | H25 | 120.0° | 119.3° |
| C24 | C25 | C26 | H25A | 120.0° | 119.3° |
| C24 | C25 | C26 | O27 | 78.7° | 113.0° |
| C24 | C25 | C26 | C30 | 33.7° | 0.6° |
| C25 | C24 | C31 | C30 | 24.5° | 38.1° |
| C24 | C25 | H25 | H25A | 122.3° | 121.3° |
| C24 | C25 | C26 | H26 | 157.7° | 123.0° |
| C25 | C24 | C31 | H31 | 144.5° | 80.3° |
| C25 | C24 | C31 | H31A | 95.5° | 156.5° |
| C31 | C24 | C25 | C26 | 35.4° | 24.0° |
| C24 | C31 | C30 | C26 | 4.0° | 37.7° |
| C24 | C31 | C30 | C29 | 110.2° | 148.3° |
| C24 | C31 | C30 | H31 | 120.0° | 118.4° |
| C24 | C31 | C30 | H31A | 120.0° | 118.3° |
| C31 | C24 | C25 | H25 | 84.6° | 143.3° |
| C31 | C24 | C25 | H25A | 155.4° | 95.4° |
| C24 | C31 | C30 | H30 | 128.9° | 85.4° |
| C24 | C31 | H31 | H31A | 120.6° | 123.2° |
| C25 | C26 | O27 | C30 | 112.5° | 113.5° |
| C25 | C26 | O27 | H26 | 123.5° | 124.0° |
| C25 | C26 | C30 | H26 | 123.4° | 122.9° |
| C25 | C26 | O27 | C28 | 122.3° | 152.6° |
| C25 | C26 | C30 | C29 | 138.2° | 137.1° |
| C25 | C26 | C30 | C31 | 18.4° | 23.1° |
| C26 | C25 | C24 | H24 | 157.3° | 94.8° |
| C26 | C25 | H25 | H25A | 122.2° | 121.4° |
| C25 | C26 | C30 | H30 | 101.4° | 100.2° |
| O27 | C26 | C30 | H26 | 123.5° | 122.0° |
| C26 | O27 | C28 | C29 | 9.5° | 40.4° |
| O27 | C26 | C30 | C29 | 25.0° | 22.0° |
| O27 | C26 | C30 | C31 | 94.7° | 92.0° |
| O27 | C26 | C25 | H25 | 161.3° | 127.7° |
| O27 | C26 | C25 | H25A | 41.3° | 6.3° |
| C26 | O27 | C28 | H28 | 129.5° | 78.5° |
| C26 | O27 | C28 | H28A | 110.5° | 159.2° |
| O27 | C26 | C30 | H30 | 145.4° | 144.7° |
| C30 | C26 | O27 | C28 | 9.8° | 39.1° |
| C26 | C30 | C29 | C28 | 29.4° | 1.7° |
| C26 | C30 | C29 | C31 | 114.9° | 110.6° |
| C26 | C30 | C29 | H30 | 124.8° | 122.8° |
| C26 | C30 | C29 | O41 | 82.7° | 120.4° |
| C26 | C30 | C31 | H30 | 124.8° | 123.1° |
| C30 | C26 | C25 | H25 | 86.3° | 119.8° |
| C30 | C26 | C25 | H25A | 153.7° | 118.7° |
| C26 | C30 | C29 | H29 | 156.6° | 116.9° |
| C26 | C30 | C31 | H31 | 124.0° | 80.7° |
| C26 | C30 | C31 | H31A | 116.0° | 156.0° |
| O27 | C28 | C29 | H28 | 120.0° | 118.9° |
| O27 | C28 | C29 | H28A | 120.0° | 118.8° |
| O27 | C28 | C29 | C30 | 24.2° | 25.0° |
| O27 | C28 | C29 | O41 | 95.4° | 143.6° |
| C28 | O27 | C26 | H26 | 114.2° | 83.4° |
| O27 | C28 | H28 | H28A | 120.9° | 122.3° |
| O27 | C28 | C29 | H29 | 145.0° | 93.7° |
| C28 | C29 | C30 | O41 | 112.1° | 118.7° |
| C28 | C29 | C30 | H29 | 127.2° | 118.6° |
| C28 | C29 | O41 | H29 | 127.5° | 122.6° |
| C28 | C29 | C30 | C31 | 85.5° | 112.3° |
| C29 | C28 | H28 | H28A | 120.9° | 122.3° |
| C28 | C29 | C30 | H30 | 154.1° | 121.1° |
| C28 | C29 | O41 | HO41 | 180.0° | 61.4° |
| C30 | C29 | O41 | H29 | 122.2° | 122.7° |
| C29 | C30 | C31 | H30 | 120.9° | 126.3° |
| C29 | C30 | C26 | H26 | 98.4° | 100.0° |
| C30 | C29 | C28 | H28 | 144.2° | 94.0° |
| C30 | C29 | C28 | H28A | 95.8° | 143.8° |
| C29 | C30 | C31 | H31 | 9.8° | 29.9° |
| C29 | C30 | C31 | H31A | 129.8° | 93.3° |
| C30 | C29 | O41 | HO41 | 69.7° | 176.1° |
| O41 | C29 | C30 | C31 | 162.4° | 129.0° |
| O41 | C29 | C28 | H28 | 24.6° | 24.7° |
| O41 | C29 | C28 | H28A | 144.6° | 97.6° |
| O41 | C29 | C30 | H30 | 42.1° | 2.4° |
| C30 | C31 | C24 | H24 | 148.7° | 80.6° |
| C31 | C30 | C26 | H26 | 141.8° | 146.0° |
| C31 | C30 | C29 | H29 | 41.7° | 6.3° |
| C30 | C31 | H31 | H31A | 120.6° | 123.3° |
| C32 | C38 | C33 | C34 | 176.1° | 180.0° |
| C32 | C38 | C33 | C37 | 179.6° | 180.0° |
| C32 | C38 | C37 | C36 | 178.9° | 180.0° |
| C38 | C32 | C19 | H19 | 59.6° | 55.0° |
| C38 | C32 | H32 | H32A | 119.7° | 120.0° |
| C32 | C38 | C33 | H33 | 3.9° | 0.3° |
| C32 | C38 | C37 | H37 | 1.1° | 0.0° |
| C34 | C33 | C38 | H33 | 180.0° | 179.7° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 5.4° | 0.1° |
| C34 | C33 | C38 | C37 | 4.3° | 0.0° |
| C33 | C34 | C35 | H35 | 174.6° | 180.0° |
| C38 | C33 | C34 | C35 | 6.4° | 0.0° |
| C33 | C38 | C37 | C36 | 1.5° | 0.1° |
| C33 | C38 | C32 | H32 | 10.1° | 30.0° |
| C33 | C38 | C32 | H32A | 130.1° | 150.0° |
| C38 | C33 | C34 | H34 | 173.6° | 180.0° |
| C33 | C38 | C37 | H37 | 178.5° | 180.0° |
| C34 | C35 | C36 | H35 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 2.7° | 0.1° |
| C35 | C34 | C33 | H33 | 173.6° | 179.7° |
| C34 | C35 | C36 | H36 | 177.3° | 180.0° |
| C35 | C36 | C37 | H36 | 180.0° | 179.8° |
| C35 | C36 | C37 | C38 | 0.8° | 0.1° |
| C36 | C35 | C34 | H34 | 174.6° | 180.0° |
| C35 | C36 | C37 | H37 | 179.2° | 179.9° |
| C36 | C37 | C38 | H37 | 180.0° | 180.0° |
| C37 | C36 | C35 | H35 | 177.3° | 180.0° |
| C37 | C38 | C32 | H32 | 169.5° | 150.0° |
| C37 | C38 | C32 | H32A | 49.5° | 30.0° |
| C37 | C38 | C33 | H33 | 175.7° | 179.7° |
| C38 | C37 | C36 | H36 | 179.2° | 179.9° |
| O39 | C40 | H40 | H40A | 120.0° | 119.9° |
| O39 | C40 | H40 | H40B | 120.0° | 120.1° |
| O39 | C40 | H40A | H40B | 120.0° | 120.0° |
| H3 | C3 | C4 | H4 | 1.8° | 0.0° |
| H6 | C6 | C7 | H7 | 2.9° | 0.0° |
| H12 | C12 | C13 | H13 | 177.6° | 65.0° |
| H12A | C12 | C13 | H13 | 62.3° | 175.0° |
| H13 | C13 | C14 | H14 | 62.2° | 180.0° |
| H13 | C13 | C14 | H14A | 57.8° | 60.0° |
| H13 | C13 | C14 | H14B | 177.8° | 60.0° |
| H13 | C13 | C15 | H15 | 62.2° | 60.0° |
| H13 | C13 | C15 | H15A | 177.8° | 60.0° |
| H13 | C13 | C15 | H15B | 57.8° | 180.0° |
| H14 | C14 | H14A | H14B | 120.0° | 120.0° |
| H15 | C15 | H15A | H15B | 120.0° | 120.0° |
| H16 | C16 | C17 | H17 | 74.5° | 175.0° |
| H16A | C16 | C17 | H17 | 165.5° | 65.0° |
| H17 | C17 | O18 | HO18 | 65.6° | 179.9° |
| H17 | C17 | C19 | H19 | 68.7° | 64.9° |
| H19 | C19 | N20 | HN20 | 169.4° | 144.9° |
| H19 | C19 | C32 | H32 | 179.6° | 175.0° |
| H19 | C19 | C32 | H32A | 60.4° | 65.0° |
| H24 | C24 | C25 | H25 | 37.3° | 24.5° |
| H24 | C24 | C25 | H25A | 82.7° | 145.8° |
| H24 | C24 | C31 | H31 | 91.3° | 161.0° |
| H24 | C24 | C31 | H31A | 28.7° | 37.8° |
| H25 | C25 | C26 | H26 | 37.7° | 3.7° |
| H25A | C25 | C26 | H26 | 82.3° | 117.7° |
| H26 | C26 | C30 | H30 | 21.9° | 22.7° |
| H28 | C28 | C29 | H29 | 95.0° | 147.4° |
| H28A | C28 | C29 | H29 | 25.0° | 25.1° |
| H29 | C29 | C30 | H30 | 78.7° | 120.3° |
| H29 | C29 | O41 | HO41 | 52.5° | 61.2° |
| H30 | C30 | C31 | H31 | 111.1° | 156.2° |
| H30 | C30 | C31 | H31A | 8.9° | 32.9° |
| H33 | C33 | C34 | H34 | 6.4° | 0.3° |
| H34 | C34 | C35 | H35 | 5.4° | 0.1° |
| H35 | C35 | C36 | H36 | 2.7° | 0.2° |
| H36 | C36 | C37 | H37 | 0.8° | 0.1° |
| H40 | C40 | H40A | H40B | 120.0° | 120.1° |
