QG2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O27 | S25 | doub | 1.42Å | 1.47Å | |
| O8 | C3 | sing | 1.43Å | 1.43Å | |
| O29 | S24 | doub | 1.42Å | 1.49Å | |
| O26 | S25 | doub | 1.42Å | 1.47Å | |
| S25 | O28 | sing | 1.52Å | 1.46Å | |
| S25 | O23 | sing | 1.52Å | 1.54Å | |
| O19 | C13 | sing | 1.43Å | 1.43Å | |
| O19 | C17 | sing | 1.43Å | 1.42Å | |
| O7 | C2 | sing | 1.43Å | 1.44Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | O9 | sing | 1.43Å | 1.44Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C18 | O23 | sing | 1.43Å | 1.43Å | |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C14 | N20 | sing | 1.47Å | 1.49Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| S24 | O30 | doub | 1.42Å | 1.48Å | |
| S24 | N20 | sing | 1.66Å | 1.63Å | |
| S24 | O31 | sing | 1.52Å | 1.46Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| O9 | C4 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C16 | O22 | sing | 1.43Å | 1.44Å | |
| O12 | C1 | sing | 1.43Å | 1.44Å | |
| O12 | C32 | sing | 1.36Å | 1.36Å | |
| C15 | O21 | sing | 1.43Å | 1.41Å | |
| C1 | O10 | sing | 1.43Å | 1.46Å | |
| C33 | C32 | doub | 1.39Å | 1.40Å | Aromatic |
| C33 | C34 | sing | 1.36Å | 1.40Å | Aromatic |
| C32 | C37 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | O10 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C34 | C35 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | O44 | doub | 1.21Å | 1.27Å | |
| C6 | O11 | sing | 1.34Å | 1.27Å | |
| C37 | C36 | doub | 1.39Å | 1.38Å | Aromatic |
| C35 | C36 | sing | 1.41Å | 1.47Å | Aromatic |
| C35 | C38 | sing | 1.46Å | 1.49Å | |
| C36 | O41 | sing | 1.35Å | 1.38Å | |
| C42 | C38 | sing | 1.51Å | 1.50Å | |
| C38 | C39 | doub | 1.36Å | 1.40Å | |
| O41 | C40 | sing | 1.34Å | 1.39Å | |
| C39 | C40 | sing | 1.41Å | 1.41Å | |
| C40 | O43 | doub | 1.22Å | 1.27Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| O11 | H6 | sing | 0.97Å | 0.95Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| N20 | HN20 | sing | 0.97Å | 1.00Å | |
| O21 | HO21 | sing | 0.97Å | 0.95Å | |
| O22 | HO22 | sing | 0.97Å | 0.95Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| O28 | H7 | sing | 0.97Å | 0.95Å | |
| O31 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O27 | S25 | O26 | 110.1° | 123.2° |
| O27 | S25 | O28 | 108.6° | 106.4° |
| O27 | S25 | O23 | 105.6° | 106.4° |
| O8 | C3 | C2 | 112.6° | 109.5° |
| O8 | C3 | C4 | 112.4° | 109.5° |
| O8 | C3 | H3 | 108.4° | 109.5° |
| C3 | O8 | HO8 | 109.5° | 114.0° |
| O29 | S24 | O30 | 108.8° | 123.2° |
| O29 | S24 | N20 | 105.5° | 106.4° |
| O29 | S24 | O31 | 113.5° | 106.4° |
| O26 | S25 | O28 | 106.4° | 106.4° |
| O26 | S25 | O23 | 111.0° | 106.4° |
| O28 | S25 | O23 | 115.2° | 107.2° |
| S25 | O28 | H7 | 109.5° | 113.9° |
| S25 | O23 | C18 | 120.2° | 114.0° |
| C13 | O19 | C17 | 114.0° | 114.1° |
| O19 | C13 | C14 | 109.9° | 109.5° |
| O19 | C13 | O9 | 116.0° | 109.5° |
| O19 | C13 | H13 | 108.4° | 109.5° |
| O19 | C17 | C18 | 109.1° | 109.5° |
| O19 | C17 | C16 | 110.4° | 109.4° |
| O19 | C17 | H17 | 109.5° | 109.5° |
| O7 | C2 | C3 | 110.1° | 109.6° |
| O7 | C2 | C1 | 109.5° | 109.5° |
| O7 | C2 | H2 | 108.8° | 109.6° |
| C2 | O7 | HO7 | 109.5° | 114.0° |
| C14 | C13 | O9 | 106.6° | 109.5° |
| C13 | C14 | N20 | 108.5° | 109.6° |
| C13 | C14 | C15 | 110.3° | 109.2° |
| C14 | C13 | H13 | 107.3° | 109.5° |
| C13 | C14 | H14 | 108.9° | 109.6° |
| C13 | O9 | C4 | 120.1° | 114.0° |
| O9 | C13 | H13 | 108.3° | 109.4° |
| C2 | C3 | C4 | 108.8° | 109.1° |
| C3 | C2 | C1 | 113.2° | 109.1° |
| C3 | C2 | H2 | 107.5° | 109.5° |
| C2 | C3 | H3 | 107.1° | 109.6° |
| C3 | C4 | O9 | 111.8° | 109.6° |
| C3 | C4 | C5 | 106.9° | 109.2° |
| C4 | C3 | H3 | 107.3° | 109.5° |
| C3 | C4 | H4 | 109.5° | 109.5° |
| C2 | C1 | O12 | 110.1° | 109.5° |
| C2 | C1 | O10 | 114.6° | 109.4° |
| C2 | C1 | H1 | 107.4° | 109.5° |
| C1 | C2 | H2 | 107.6° | 109.6° |
| O23 | C18 | C17 | 111.3° | 109.5° |
| O23 | C18 | H181 | 109.0° | 109.5° |
| O23 | C18 | H18 | 109.0° | 109.4° |
| C18 | C17 | C16 | 111.3° | 109.5° |
| C18 | C17 | H17 | 108.3° | 109.5° |
| C17 | C18 | H181 | 109.0° | 109.5° |
| C17 | C18 | H18 | 109.0° | 109.5° |
| N20 | C14 | C15 | 110.7° | 109.5° |
| C14 | N20 | S24 | 115.6° | 120.0° |
| N20 | C14 | H14 | 109.4° | 109.5° |
| C14 | N20 | HN20 | 107.9° | 120.0° |
| C14 | C15 | C16 | 110.5° | 109.0° |
| C14 | C15 | O21 | 110.3° | 109.6° |
| C15 | C14 | H14 | 109.0° | 109.6° |
| C14 | C15 | H15 | 108.7° | 109.6° |
| O30 | S24 | N20 | 114.1° | 106.4° |
| O30 | S24 | O31 | 107.6° | 106.4° |
| N20 | S24 | O31 | 107.5° | 107.2° |
| S24 | N20 | HN20 | 107.9° | 120.0° |
| S24 | O31 | H8 | 109.5° | 114.0° |
| C17 | C16 | C15 | 108.9° | 109.2° |
| C17 | C16 | O22 | 110.8° | 109.5° |
| C17 | C16 | H16 | 108.8° | 109.6° |
| C16 | C17 | H17 | 108.3° | 109.5° |
| O9 | C4 | C5 | 109.0° | 109.5° |
| O9 | C4 | H4 | 110.6° | 109.5° |
| C4 | C5 | O10 | 113.8° | 109.4° |
| C4 | C5 | C6 | 109.8° | 109.5° |
| C5 | C4 | H4 | 109.0° | 109.5° |
| C4 | C5 | H5 | 106.6° | 109.5° |
| C15 | C16 | O22 | 109.6° | 109.5° |
| C16 | C15 | O21 | 108.0° | 109.5° |
| C16 | C15 | H15 | 108.9° | 109.6° |
| C15 | C16 | H16 | 108.9° | 109.5° |
| O22 | C16 | H16 | 109.8° | 109.5° |
| C16 | O22 | HO22 | 109.5° | 114.0° |
| C1 | O12 | C32 | 121.5° | 117.0° |
| O12 | C1 | O10 | 107.8° | 109.4° |
| O12 | C1 | H1 | 108.5° | 109.5° |
| O12 | C32 | C33 | 118.2° | 119.7° |
| O12 | C32 | C37 | 120.0° | 119.7° |
| O21 | C15 | H15 | 110.3° | 109.5° |
| C15 | O21 | HO21 | 109.5° | 114.0° |
| C1 | O10 | C5 | 117.8° | 114.1° |
| O10 | C1 | H1 | 108.3° | 109.5° |
| C32 | C33 | C34 | 119.3° | 120.4° |
| C33 | C32 | C37 | 121.8° | 120.5° |
| C32 | C33 | H33 | 120.4° | 119.8° |
| C33 | C34 | C35 | 120.8° | 119.8° |
| C34 | C33 | H33 | 120.3° | 119.8° |
| C33 | C34 | H34 | 119.6° | 120.1° |
| C32 | C37 | C36 | 119.7° | 119.8° |
| C32 | C37 | H37 | 120.1° | 120.1° |
| O10 | C5 | C6 | 111.3° | 109.4° |
| O10 | C5 | H5 | 107.8° | 109.5° |
| C5 | C6 | O44 | 119.0° | 120.0° |
| C5 | C6 | O11 | 114.6° | 119.9° |
| C6 | C5 | H5 | 107.2° | 109.5° |
| C34 | C35 | C36 | 119.3° | 120.0° |
| C34 | C35 | C38 | 124.1° | 121.0° |
| C35 | C34 | H34 | 119.6° | 120.1° |
| O44 | C6 | O11 | 126.4° | 120.0° |
| C6 | O11 | H6 | 109.5° | 117.0° |
| C37 | C36 | C35 | 119.2° | 119.5° |
| C37 | C36 | O41 | 120.5° | 120.7° |
| C36 | C37 | H37 | 120.1° | 120.1° |
| C36 | C35 | C38 | 116.6° | 119.0° |
| C35 | C36 | O41 | 120.3° | 119.8° |
| C35 | C38 | C42 | 119.8° | 120.9° |
| C35 | C38 | C39 | 119.2° | 118.2° |
| C36 | O41 | C40 | 122.2° | 121.5° |
| C42 | C38 | C39 | 121.0° | 120.9° |
| C38 | C42 | H42 | 109.5° | 109.4° |
| C38 | C42 | H421 | 109.5° | 109.4° |
| C38 | C42 | H422 | 109.5° | 109.5° |
| C38 | C39 | C40 | 121.5° | 119.8° |
| C38 | C39 | H39 | 119.2° | 120.1° |
| O41 | C40 | C39 | 120.0° | 121.7° |
| O41 | C40 | O43 | 118.0° | 119.2° |
| C39 | C40 | O43 | 121.9° | 119.1° |
| C40 | C39 | H39 | 119.2° | 120.1° |
| H181 | C18 | H18 | 109.5° | 109.5° |
| H42 | C42 | H421 | 109.5° | 109.5° |
| H42 | C42 | H422 | 109.4° | 109.5° |
| H421 | C42 | H422 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O27 | S25 | O26 | O28 | 117.4° | 123.0° |
| O27 | S25 | O26 | O23 | 116.5° | 123.0° |
| O27 | S25 | O28 | O23 | 118.2° | 113.5° |
| O27 | S25 | O23 | C18 | 20.8° | 38.5° |
| O27 | S25 | O28 | H7 | 118.4° | 66.5° |
| O8 | C3 | C2 | O7 | 78.6° | 63.2° |
| O8 | C3 | C2 | C4 | 125.3° | 119.9° |
| O8 | C3 | C2 | H3 | 119.1° | 120.2° |
| O8 | C3 | C4 | H3 | 119.1° | 120.2° |
| O8 | C3 | C2 | C1 | 158.5° | 176.9° |
| O8 | C3 | C4 | O9 | 47.7° | 63.2° |
| O8 | C3 | C4 | C5 | 166.9° | 176.9° |
| O8 | C3 | C2 | H2 | 39.8° | 56.9° |
| O8 | C3 | C4 | H4 | 75.2° | 57.0° |
| O29 | S24 | N20 | C14 | 54.8° | 178.6° |
| O29 | S24 | O30 | N20 | 117.5° | 122.9° |
| O29 | S24 | O30 | O31 | 123.3° | 123.0° |
| O29 | S24 | N20 | O31 | 121.4° | 113.5° |
| O29 | S24 | N20 | HN20 | 175.8° | 1.5° |
| O29 | S24 | O31 | H8 | 120.4° | 66.5° |
| O26 | S25 | O28 | O23 | 123.4° | 113.5° |
| O26 | S25 | O23 | C18 | 140.0° | 171.4° |
| O26 | S25 | O28 | H7 | 0.0° | 66.5° |
| O28 | S25 | O23 | C18 | 99.0° | 75.0° |
| S25 | O23 | C18 | C17 | 137.2° | 180.0° |
| S25 | O23 | C18 | H181 | 17.0° | 60.0° |
| S25 | O23 | C18 | H18 | 102.5° | 60.0° |
| O23 | S25 | O28 | H7 | 123.4° | 180.0° |
| O19 | C13 | C14 | O9 | 126.5° | 120.0° |
| O19 | C13 | C14 | H13 | 117.7° | 120.0° |
| O19 | C13 | O9 | H13 | 122.1° | 120.0° |
| C13 | O19 | C17 | C18 | 176.4° | 178.9° |
| O19 | C13 | C14 | N20 | 175.4° | 177.5° |
| O19 | C13 | C14 | C15 | 53.9° | 57.6° |
| C13 | O19 | C17 | C16 | 61.0° | 61.1° |
| O19 | C13 | O9 | C4 | 41.0° | 64.8° |
| O19 | C13 | C14 | H14 | 65.6° | 62.4° |
| C13 | O19 | C17 | H17 | 58.0° | 58.9° |
| C17 | O19 | C13 | C14 | 58.6° | 61.1° |
| C17 | O19 | C13 | O9 | 62.4° | 58.9° |
| O19 | C17 | C18 | O23 | 82.6° | 64.4° |
| O19 | C17 | C18 | C16 | 122.0° | 120.0° |
| O19 | C17 | C18 | H17 | 119.1° | 120.0° |
| O19 | C17 | C16 | H17 | 119.8° | 120.0° |
| O19 | C17 | C16 | C15 | 57.9° | 57.6° |
| O19 | C17 | C16 | O22 | 178.6° | 177.5° |
| C17 | O19 | C13 | H13 | 175.5° | 178.9° |
| O19 | C17 | C16 | H16 | 60.6° | 62.3° |
| O19 | C17 | C18 | H181 | 37.7° | 175.6° |
| O19 | C17 | C18 | H18 | 157.1° | 55.6° |
| O7 | C2 | C3 | C1 | 122.9° | 119.9° |
| O7 | C2 | C3 | H2 | 118.4° | 120.2° |
| O7 | C2 | C3 | C4 | 156.2° | 176.9° |
| O7 | C2 | C1 | H2 | 118.1° | 120.2° |
| O7 | C2 | C1 | O12 | 137.4° | 62.5° |
| O7 | C2 | C1 | O10 | 100.9° | 177.6° |
| O7 | C2 | C1 | H1 | 19.5° | 57.5° |
| O7 | C2 | C3 | H3 | 40.5° | 57.0° |
| C14 | C13 | O9 | H13 | 115.2° | 120.0° |
| C13 | C14 | N20 | C15 | 121.2° | 119.7° |
| C13 | C14 | N20 | H14 | 118.7° | 120.2° |
| C13 | C14 | C15 | H14 | 119.5° | 120.0° |
| C13 | C14 | N20 | S24 | 145.1° | 95.0° |
| C14 | C13 | O9 | C4 | 163.7° | 175.2° |
| C13 | C14 | C15 | C16 | 54.4° | 57.0° |
| C13 | C14 | C15 | O21 | 173.8° | 176.9° |
| C13 | C14 | C15 | H15 | 65.1° | 63.0° |
| C13 | C14 | N20 | HN20 | 94.0° | 85.0° |
| C13 | O9 | C4 | C3 | 82.8° | 83.4° |
| O9 | C13 | C14 | N20 | 48.9° | 57.5° |
| O9 | C13 | C14 | C15 | 72.6° | 62.4° |
| C13 | O9 | C4 | C5 | 159.2° | 156.9° |
| C13 | O9 | C4 | H4 | 39.4° | 36.7° |
| O9 | C13 | C14 | H14 | 167.9° | 177.6° |
| C2 | C3 | C4 | H3 | 115.5° | 119.9° |
| C3 | C2 | C1 | H2 | 118.7° | 119.9° |
| C2 | C3 | C4 | O9 | 173.1° | 176.9° |
| C2 | C3 | C4 | C5 | 67.7° | 57.0° |
| C3 | C2 | C1 | O12 | 99.3° | 177.6° |
| C3 | C2 | C1 | O10 | 22.4° | 57.7° |
| C3 | C2 | C1 | H1 | 142.7° | 62.4° |
| C2 | C3 | C4 | H4 | 50.2° | 62.9° |
| C3 | C2 | O7 | HO7 | 180.0° | 179.7° |
| C2 | C3 | O8 | HO8 | 180.0° | 60.0° |
| C4 | C3 | C2 | C1 | 33.2° | 57.0° |
| C3 | C4 | O9 | C5 | 117.9° | 119.7° |
| C3 | C4 | O9 | H4 | 122.2° | 120.2° |
| C3 | C4 | C5 | H4 | 118.2° | 119.9° |
| C3 | C4 | C5 | O10 | 46.9° | 57.6° |
| C3 | C4 | C5 | C6 | 172.4° | 177.6° |
| C4 | C3 | C2 | H2 | 85.5° | 62.9° |
| C3 | C4 | C5 | H5 | 71.8° | 62.4° |
| C4 | C3 | O8 | HO8 | 56.7° | 179.5° |
| C2 | C1 | O12 | O10 | 125.7° | 119.9° |
| C2 | C1 | O12 | H1 | 117.2° | 120.1° |
| C2 | C1 | O12 | C32 | 164.0° | 175.1° |
| C2 | C1 | O10 | H1 | 119.8° | 120.1° |
| C2 | C1 | O10 | C5 | 46.0° | 61.2° |
| C1 | C2 | C3 | H3 | 82.4° | 62.9° |
| C1 | C2 | O7 | HO7 | 54.9° | 60.1° |
| O23 | C18 | C17 | H181 | 120.3° | 120.0° |
| O23 | C18 | C17 | H18 | 120.3° | 120.0° |
| O23 | C18 | C17 | C16 | 155.4° | 175.6° |
| O23 | C18 | C17 | H17 | 36.5° | 55.6° |
| O23 | C18 | H181 | H18 | 119.2° | 120.0° |
| C18 | C17 | C16 | H17 | 118.9° | 120.0° |
| C18 | C17 | C16 | C15 | 179.2° | 177.6° |
| C18 | C17 | C16 | O22 | 60.1° | 62.5° |
| C18 | C17 | C16 | H16 | 60.7° | 57.7° |
| C17 | C18 | H181 | H18 | 119.2° | 120.0° |
| N20 | C14 | C15 | H14 | 120.3° | 120.1° |
| C14 | N20 | S24 | O30 | 174.2° | 48.5° |
| C14 | N20 | S24 | HN20 | 120.9° | 180.0° |
| C14 | N20 | S24 | O31 | 66.6° | 65.0° |
| N20 | C14 | C15 | C16 | 174.5° | 176.9° |
| N20 | C14 | C15 | O21 | 66.1° | 63.2° |
| N20 | C14 | C13 | H13 | 66.9° | 62.5° |
| N20 | C14 | C15 | H15 | 55.0° | 57.0° |
| C15 | C14 | N20 | S24 | 93.7° | 145.3° |
| C14 | C15 | C16 | C17 | 55.7° | 57.0° |
| C14 | C15 | C16 | O21 | 120.8° | 119.9° |
| C14 | C15 | C16 | H15 | 119.4° | 119.9° |
| C14 | C15 | C16 | O22 | 177.1° | 176.8° |
| C14 | C15 | O21 | H15 | 120.2° | 120.2° |
| C15 | C14 | C13 | H13 | 171.6° | 177.6° |
| C14 | C15 | C16 | H16 | 62.8° | 63.0° |
| C15 | C14 | N20 | HN20 | 27.2° | 34.7° |
| C14 | C15 | O21 | HO21 | 180.0° | 180.0° |
| O30 | S24 | N20 | O31 | 119.2° | 113.5° |
| O30 | S24 | N20 | HN20 | 64.8° | 131.5° |
| O30 | S24 | O31 | H8 | 0.0° | 66.4° |
| S24 | N20 | C14 | H14 | 26.4° | 25.2° |
| N20 | S24 | O31 | H8 | 123.3° | 180.0° |
| O31 | S24 | N20 | HN20 | 54.3° | 115.0° |
| C17 | C16 | C15 | O22 | 121.4° | 119.9° |
| C17 | C16 | C15 | H16 | 118.4° | 120.0° |
| C17 | C16 | O22 | H16 | 120.2° | 120.2° |
| C17 | C16 | C15 | O21 | 176.4° | 176.9° |
| C17 | C16 | C15 | H15 | 63.7° | 63.0° |
| C16 | C17 | C18 | H181 | 84.4° | 55.6° |
| C16 | C17 | C18 | H18 | 35.1° | 64.4° |
| C17 | C16 | O22 | HO22 | 180.0° | 60.3° |
| O9 | C4 | C5 | H4 | 120.8° | 120.1° |
| O9 | C4 | C5 | O10 | 167.9° | 177.5° |
| O9 | C4 | C5 | C6 | 66.6° | 62.5° |
| O9 | C4 | C3 | H3 | 71.4° | 57.0° |
| O9 | C4 | C5 | H5 | 49.2° | 57.6° |
| C4 | O9 | C13 | H13 | 81.1° | 55.2° |
| C4 | C5 | O10 | C1 | 9.7° | 61.1° |
| C4 | C5 | O10 | C6 | 124.7° | 120.0° |
| C4 | C5 | O10 | H5 | 118.0° | 120.0° |
| C4 | C5 | C6 | H5 | 115.4° | 120.1° |
| C4 | C5 | C6 | O44 | 80.1° | 109.6° |
| C4 | C5 | C6 | O11 | 98.3° | 70.4° |
| C5 | C4 | C3 | H3 | 47.8° | 62.9° |
| C15 | C16 | O22 | H16 | 119.6° | 120.1° |
| C16 | C15 | O21 | H15 | 118.9° | 120.2° |
| C16 | C15 | C14 | H14 | 65.1° | 63.0° |
| C15 | C16 | C17 | H17 | 61.9° | 62.4° |
| C16 | C15 | O21 | HO21 | 59.1° | 60.4° |
| C15 | C16 | O22 | HO22 | 59.8° | 180.0° |
| O22 | C16 | C15 | O21 | 62.2° | 63.2° |
| O22 | C16 | C15 | H15 | 57.7° | 56.9° |
| O22 | C16 | C17 | H17 | 58.8° | 57.5° |
| O12 | C1 | O10 | H1 | 117.2° | 120.0° |
| C1 | O12 | C32 | C33 | 168.8° | 0.3° |
| C1 | O12 | C32 | C37 | 9.8° | 180.0° |
| O12 | C1 | O10 | C5 | 76.9° | 178.8° |
| O12 | C1 | C2 | H2 | 19.3° | 57.7° |
| C32 | O12 | C1 | O10 | 70.3° | 65.0° |
| O12 | C32 | C33 | C37 | 178.6° | 179.7° |
| O12 | C32 | C33 | C34 | 177.9° | 180.0° |
| O12 | C32 | C37 | C36 | 177.8° | 179.8° |
| C32 | O12 | C1 | H1 | 46.8° | 55.0° |
| O12 | C32 | C33 | H33 | 2.1° | 0.0° |
| O12 | C32 | C37 | H37 | 2.1° | 0.0° |
| O21 | C15 | C14 | H14 | 54.2° | 56.9° |
| O21 | C15 | C16 | H16 | 58.0° | 56.9° |
| C1 | O10 | C5 | C6 | 115.0° | 178.8° |
| O10 | C1 | C2 | H2 | 141.0° | 62.2° |
| C1 | O10 | C5 | H5 | 127.7° | 58.9° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.5° | 0.0° |
| C33 | C32 | C37 | C36 | 0.7° | 0.5° |
| C32 | C33 | C34 | H34 | 179.5° | 180.0° |
| C33 | C32 | C37 | H37 | 179.3° | 179.7° |
| C34 | C33 | C32 | C37 | 0.7° | 0.3° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.3° | 0.0° |
| C33 | C34 | C35 | C38 | 177.7° | 180.0° |
| C32 | C37 | C36 | H37 | 180.0° | 179.8° |
| C32 | C37 | C36 | C35 | 0.5° | 0.5° |
| C32 | C37 | C36 | O41 | 179.6° | 179.7° |
| C37 | C32 | C33 | H33 | 179.3° | 179.7° |
| O10 | C5 | C6 | H5 | 117.7° | 120.0° |
| O10 | C5 | C6 | O44 | 46.8° | 10.3° |
| O10 | C5 | C6 | O11 | 134.8° | 169.7° |
| C5 | O10 | C1 | H1 | 165.9° | 58.9° |
| O10 | C5 | C4 | H4 | 71.3° | 62.3° |
| C5 | C6 | O44 | O11 | 178.2° | 180.0° |
| C6 | C5 | C4 | H4 | 54.2° | 57.6° |
| C5 | C6 | O11 | H6 | 178.2° | 175.0° |
| C34 | C35 | C36 | C37 | 0.3° | 0.2° |
| C34 | C35 | C36 | C38 | 178.2° | 180.0° |
| C34 | C35 | C36 | O41 | 179.8° | 180.0° |
| C34 | C35 | C38 | C42 | 0.4° | 0.0° |
| C34 | C35 | C38 | C39 | 180.0° | 180.0° |
| C35 | C34 | C33 | H33 | 179.5° | 180.0° |
| O44 | C6 | C5 | H5 | 164.5° | 130.3° |
| O44 | C6 | O11 | H6 | 0.0° | 5.0° |
| O11 | C6 | C5 | H5 | 17.1° | 49.7° |
| C37 | C36 | C35 | O41 | 179.9° | 179.8° |
| C37 | C36 | C35 | C38 | 177.8° | 179.8° |
| C37 | C36 | O41 | C40 | 178.7° | 179.8° |
| C36 | C35 | C38 | C42 | 178.5° | 180.0° |
| C36 | C35 | C38 | C39 | 1.9° | 0.0° |
| C35 | C36 | O41 | C40 | 1.2° | 0.0° |
| C36 | C35 | C34 | H34 | 179.7° | 180.0° |
| C35 | C36 | C37 | H37 | 179.5° | 179.8° |
| C38 | C35 | C36 | O41 | 2.1° | 0.0° |
| C35 | C38 | C42 | C39 | 179.6° | 180.0° |
| C35 | C38 | C39 | C40 | 0.9° | 0.0° |
| C38 | C35 | C34 | H34 | 2.3° | 0.0° |
| C35 | C38 | C39 | H39 | 179.0° | 180.0° |
| C35 | C38 | C42 | H42 | 180.0° | 90.0° |
| C35 | C38 | C42 | H421 | 60.0° | 150.0° |
| C35 | C38 | C42 | H422 | 60.0° | 30.0° |
| C36 | O41 | C40 | C39 | 0.1° | 0.0° |
| C36 | O41 | C40 | O43 | 179.3° | 180.0° |
| O41 | C36 | C37 | H37 | 0.4° | 0.0° |
| C42 | C38 | C39 | C40 | 179.5° | 180.0° |
| C42 | C38 | C39 | H39 | 0.5° | 0.0° |
| C38 | C42 | H42 | H421 | 120.0° | 119.9° |
| C38 | C42 | H42 | H422 | 120.0° | 120.0° |
| C38 | C42 | H421 | H422 | 120.0° | 120.0° |
| C38 | C39 | C40 | O41 | 0.0° | 0.0° |
| C38 | C39 | C40 | H39 | 180.0° | 180.0° |
| C38 | C39 | C40 | O43 | 179.4° | 180.0° |
| C39 | C38 | C42 | H42 | 0.4° | 90.0° |
| C39 | C38 | C42 | H421 | 120.4° | 29.9° |
| C39 | C38 | C42 | H422 | 119.5° | 150.0° |
| O41 | C40 | C39 | O43 | 179.4° | 180.0° |
| O41 | C40 | C39 | H39 | 180.0° | 180.0° |
| O43 | C40 | C39 | H39 | 0.6° | 0.0° |
| H1 | C1 | C2 | H2 | 98.6° | 177.7° |
| H2 | C2 | C3 | H3 | 158.9° | 177.2° |
| H2 | C2 | O7 | HO7 | 62.4° | 60.1° |
| H3 | C3 | C4 | H4 | 165.7° | 177.1° |
| H3 | C3 | O8 | HO8 | 61.7° | 60.3° |
| H4 | C4 | C5 | H5 | 169.9° | 177.7° |
| H13 | C13 | C14 | H14 | 52.0° | 57.6° |
| H14 | C14 | C15 | H15 | 175.3° | 177.0° |
| H14 | C14 | N20 | HN20 | 147.3° | 154.9° |
| H15 | C15 | C16 | H16 | 177.8° | 177.1° |
| H15 | C15 | O21 | HO21 | 59.8° | 59.8° |
| H16 | C16 | C17 | H17 | 179.6° | 177.7° |
| H16 | C16 | O22 | HO22 | 59.8° | 59.9° |
| H17 | C17 | C18 | H181 | 156.8° | 64.4° |
| H17 | C17 | C18 | H18 | 83.8° | 175.6° |
| H33 | C33 | C34 | H34 | 0.5° | 0.0° |
| H42 | C42 | H421 | H422 | 119.9° | 120.1° |
