ZBA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | C44 | doub | 1.21Å | 1.21Å | |
| C44 | C45 | sing | 1.51Å | 1.48Å | |
| C44 | O17 | sing | 1.34Å | 1.34Å | |
| C45 | C46 | sing | 1.51Å | 1.47Å | |
| C46 | C48 | doub | 1.31Å | 1.45Å | |
| C46 | C47 | sing | 1.51Å | 1.49Å | |
| O17 | C31 | sing | 1.45Å | 1.46Å | |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| C31 | C32 | sing | 1.50Å | 1.50Å | |
| C30 | C29 | sing | 1.53Å | 1.57Å | |
| C32 | C39 | sing | 1.51Å | 1.50Å | |
| C32 | C33 | doub | 1.29Å | 1.32Å | |
| C33 | C34 | sing | 1.50Å | 1.49Å | |
| C34 | O10 | sing | 1.43Å | 1.46Å | |
| C34 | C29 | sing | 1.53Å | 1.57Å | |
| O10 | C25 | sing | 1.44Å | 1.44Å | |
| C29 | C38 | sing | 1.53Å | 1.55Å | |
| C29 | C28 | sing | 1.54Å | 1.61Å | |
| C38 | O12 | sing | 1.45Å | 1.45Å | |
| O12 | C40 | sing | 1.34Å | 1.34Å | |
| C40 | C41 | sing | 1.51Å | 1.50Å | |
| C40 | O13 | doub | 1.21Å | 1.15Å | |
| C28 | C37 | sing | 1.53Å | 1.56Å | |
| C28 | C35 | sing | 1.54Å | 1.54Å | |
| C28 | C27 | sing | 1.55Å | 1.59Å | |
| C35 | C25 | sing | 1.56Å | 1.47Å | |
| C35 | C36 | sing | 1.52Å | 1.44Å | |
| C35 | O11 | sing | 1.41Å | 1.44Å | |
| C25 | C26 | sing | 1.55Å | 1.51Å | |
| C36 | O11 | sing | 1.43Å | 1.43Å | |
| C27 | C26 | sing | 1.54Å | 1.52Å | |
| C27 | O14 | sing | 1.45Å | 1.45Å | |
| C26 | O16 | sing | 1.43Å | 1.40Å | |
| O14 | C42 | sing | 1.34Å | 1.39Å | |
| C42 | O15 | doub | 1.21Å | 1.17Å | |
| C42 | C43 | sing | 1.51Å | 1.49Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C45 | H45A | sing | 1.09Å | 1.10Å | |
| C48 | H48 | sing | 1.08Å | 1.08Å | |
| C48 | H48A | sing | 1.08Å | 1.08Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C47 | H47A | sing | 1.09Å | 1.10Å | |
| C47 | H47B | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C39 | H39B | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C41 | H41B | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C37 | H37B | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| O16 | HO16 | sing | 0.97Å | 0.95Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å | |
| C43 | H43B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | C44 | C45 | 126.6° | 120.0° |
| O18 | C44 | O17 | 121.0° | 120.0° |
| C45 | C44 | O17 | 112.4° | 120.0° |
| C44 | C45 | C46 | 112.8° | 109.4° |
| C44 | C45 | H45 | 108.3° | 109.5° |
| C44 | C45 | H45A | 108.4° | 109.5° |
| C44 | O17 | C31 | 122.4° | 117.0° |
| C45 | C46 | C48 | 122.4° | 120.0° |
| C45 | C46 | C47 | 123.6° | 120.0° |
| C46 | C45 | H45 | 108.4° | 109.5° |
| C46 | C45 | H45A | 108.3° | 109.5° |
| C48 | C46 | C47 | 114.1° | 120.0° |
| C46 | C48 | H48 | 120.0° | 120.0° |
| C46 | C48 | H48A | 120.0° | 120.0° |
| C46 | C47 | H47 | 109.5° | 109.4° |
| C46 | C47 | H47A | 109.4° | 109.5° |
| C46 | C47 | H47B | 109.5° | 109.5° |
| O17 | C31 | C30 | 108.6° | 109.4° |
| O17 | C31 | C32 | 106.5° | 109.4° |
| O17 | C31 | H31 | 114.0° | 109.3° |
| C30 | C31 | C32 | 114.8° | 110.2° |
| C31 | C30 | C29 | 116.9° | 108.4° |
| C30 | C31 | H31 | 105.5° | 109.4° |
| C31 | C30 | H30 | 107.1° | 109.7° |
| C31 | C30 | H30A | 107.0° | 109.7° |
| C31 | C32 | C39 | 115.5° | 117.8° |
| C31 | C32 | C33 | 121.3° | 124.4° |
| C32 | C31 | H31 | 107.7° | 109.2° |
| C30 | C29 | C34 | 104.8° | 108.8° |
| C30 | C29 | C38 | 111.8° | 109.5° |
| C30 | C29 | C28 | 111.4° | 109.5° |
| C29 | C30 | H30 | 107.1° | 109.7° |
| C29 | C30 | H30A | 107.1° | 109.6° |
| C39 | C32 | C33 | 123.2° | 117.8° |
| C32 | C39 | H39 | 109.5° | 109.5° |
| C32 | C39 | H39A | 109.5° | 109.5° |
| C32 | C39 | H39B | 109.5° | 109.5° |
| C32 | C33 | C34 | 124.3° | 123.9° |
| C32 | C33 | H33 | 117.8° | 118.1° |
| C33 | C34 | O10 | 106.4° | 108.9° |
| C33 | C34 | C29 | 116.7° | 109.7° |
| C34 | C33 | H33 | 117.8° | 118.1° |
| C33 | C34 | H34 | 106.2° | 109.0° |
| O10 | C34 | C29 | 107.7° | 111.6° |
| C34 | O10 | C25 | 117.8° | 114.4° |
| O10 | C34 | H34 | 115.4° | 109.0° |
| C34 | C29 | C38 | 107.9° | 109.5° |
| C34 | C29 | C28 | 110.8° | 109.7° |
| C29 | C34 | H34 | 104.8° | 108.6° |
| O10 | C25 | C35 | 109.7° | 105.9° |
| O10 | C25 | C26 | 116.4° | 107.0° |
| O10 | C25 | H25 | 102.0° | 112.9° |
| C38 | C29 | C28 | 110.0° | 109.8° |
| C29 | C38 | O12 | 109.6° | 109.4° |
| C29 | C38 | H38 | 109.4° | 109.5° |
| C29 | C38 | H38A | 109.4° | 109.4° |
| C29 | C28 | C37 | 110.4° | 113.1° |
| C29 | C28 | C35 | 109.8° | 106.3° |
| C29 | C28 | C27 | 109.6° | 106.3° |
| C38 | O12 | C40 | 119.7° | 116.9° |
| O12 | C38 | H38 | 109.4° | 109.5° |
| O12 | C38 | H38A | 109.4° | 109.5° |
| O12 | C40 | C41 | 111.7° | 120.0° |
| O12 | C40 | O13 | 125.5° | 120.0° |
| C41 | C40 | O13 | 122.7° | 120.0° |
| C40 | C41 | H41 | 109.5° | 109.5° |
| C40 | C41 | H41A | 109.5° | 109.5° |
| C40 | C41 | H41B | 109.5° | 109.5° |
| C37 | C28 | C35 | 111.9° | 113.2° |
| C37 | C28 | C27 | 116.9° | 113.3° |
| C28 | C37 | H37 | 109.5° | 109.5° |
| C28 | C37 | H37A | 109.4° | 109.5° |
| C28 | C37 | H37B | 109.5° | 109.5° |
| C35 | C28 | C27 | 97.5° | 103.9° |
| C28 | C35 | C25 | 102.7° | 101.4° |
| C28 | C35 | C36 | 129.3° | 122.7° |
| C28 | C35 | O11 | 117.7° | 123.5° |
| C28 | C27 | C26 | 104.4° | 106.1° |
| C28 | C27 | O14 | 116.9° | 110.2° |
| C28 | C27 | H27 | 107.7° | 110.2° |
| C25 | C35 | C36 | 124.5° | 123.9° |
| C25 | C35 | O11 | 115.7° | 124.0° |
| C35 | C25 | C26 | 99.1° | 103.6° |
| C35 | C25 | H25 | 118.5° | 112.9° |
| C36 | C35 | O11 | 59.8° | 58.6° |
| C35 | C36 | O11 | 60.0° | 57.0° |
| C35 | C36 | H36 | 130.9° | 117.9° |
| C35 | C36 | H36A | 130.9° | 117.8° |
| C35 | O11 | C36 | 60.3° | 64.4° |
| C25 | C26 | C27 | 106.5° | 106.1° |
| C25 | C26 | O16 | 111.1° | 110.1° |
| C26 | C25 | H25 | 112.0° | 113.6° |
| C25 | C26 | H26 | 111.9° | 110.1° |
| O11 | C36 | H36 | 130.9° | 117.9° |
| O11 | C36 | H36A | 130.9° | 117.8° |
| C26 | C27 | O14 | 108.4° | 110.1° |
| C27 | C26 | O16 | 113.7° | 110.2° |
| C26 | C27 | H27 | 116.2° | 110.1° |
| C27 | C26 | H26 | 109.2° | 110.1° |
| C27 | O14 | C42 | 122.4° | 117.0° |
| O14 | C27 | H27 | 103.7° | 110.1° |
| O16 | C26 | H26 | 104.4° | 110.2° |
| C26 | O16 | HO16 | 109.5° | 114.0° |
| O14 | C42 | O15 | 123.5° | 120.0° |
| O14 | C42 | C43 | 115.1° | 120.0° |
| O15 | C42 | C43 | 121.4° | 120.0° |
| C42 | C43 | H43 | 109.5° | 109.5° |
| C42 | C43 | H43A | 109.5° | 109.5° |
| C42 | C43 | H43B | 109.5° | 109.5° |
| H45 | C45 | H45A | 110.6° | 109.5° |
| H48 | C48 | H48A | 120.0° | 119.9° |
| H47 | C47 | H47A | 109.5° | 109.4° |
| H47 | C47 | H47B | 109.4° | 109.4° |
| H47A | C47 | H47B | 109.5° | 109.5° |
| H30 | C30 | H30A | 111.7° | 109.7° |
| H39 | C39 | H39A | 109.5° | 109.5° |
| H39 | C39 | H39B | 109.4° | 109.4° |
| H39A | C39 | H39B | 109.5° | 109.5° |
| H38 | C38 | H38A | 109.5° | 109.5° |
| H41 | C41 | H41A | 109.5° | 109.5° |
| H41 | C41 | H41B | 109.5° | 109.5° |
| H41A | C41 | H41B | 109.5° | 109.4° |
| H37 | C37 | H37A | 109.5° | 109.5° |
| H37 | C37 | H37B | 109.5° | 109.4° |
| H37A | C37 | H37B | 109.5° | 109.5° |
| H36 | C36 | H36A | 81.8° | 115.8° |
| H43 | C43 | H43A | 109.5° | 109.4° |
| H43 | C43 | H43B | 109.5° | 109.5° |
| H43A | C43 | H43B | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C44 | C45 | O17 | 179.9° | 179.8° |
| O18 | C44 | C45 | C46 | 83.3° | 5.1° |
| O18 | C44 | O17 | C31 | 3.4° | 0.7° |
| O18 | C44 | C45 | H45 | 156.7° | 114.9° |
| O18 | C44 | C45 | H45A | 36.7° | 125.1° |
| C44 | C45 | C46 | H45 | 120.0° | 120.0° |
| C44 | C45 | C46 | H45A | 120.0° | 120.0° |
| C44 | C45 | C46 | C48 | 39.8° | 95.0° |
| C44 | C45 | C46 | C47 | 140.7° | 85.0° |
| C45 | C44 | O17 | C31 | 176.5° | 179.0° |
| C44 | C45 | H45 | H45A | 118.6° | 120.0° |
| O17 | C44 | C45 | C46 | 96.7° | 175.1° |
| C44 | O17 | C31 | C30 | 75.2° | 142.5° |
| C44 | O17 | C31 | C32 | 160.7° | 96.7° |
| O17 | C44 | C45 | H45 | 23.3° | 64.9° |
| O17 | C44 | C45 | H45A | 143.3° | 55.1° |
| C44 | O17 | C31 | H31 | 42.1° | 22.8° |
| C45 | C46 | C48 | C47 | 179.6° | 180.0° |
| C46 | C45 | H45 | H45A | 118.6° | 120.0° |
| C45 | C46 | C48 | H48 | 179.6° | 180.0° |
| C45 | C46 | C48 | H48A | 0.4° | 0.0° |
| C45 | C46 | C47 | H47 | 180.0° | 60.0° |
| C45 | C46 | C47 | H47A | 60.0° | 180.0° |
| C45 | C46 | C47 | H47B | 60.0° | 59.9° |
| C48 | C46 | C45 | H45 | 80.2° | 25.0° |
| C48 | C46 | C45 | H45A | 159.8° | 145.0° |
| C46 | C48 | H48 | H48A | 180.0° | 180.0° |
| C48 | C46 | C47 | H47 | 0.4° | 120.0° |
| C48 | C46 | C47 | H47A | 119.6° | 0.0° |
| C48 | C46 | C47 | H47B | 120.4° | 120.0° |
| C47 | C46 | C45 | H45 | 99.4° | 155.0° |
| C47 | C46 | C45 | H45A | 20.7° | 34.9° |
| C47 | C46 | C48 | H48 | 0.0° | 0.0° |
| C47 | C46 | C48 | H48A | 180.0° | 179.9° |
| C46 | C47 | H47 | H47A | 120.0° | 120.1° |
| C46 | C47 | H47 | H47B | 120.0° | 120.0° |
| C46 | C47 | H47A | H47B | 120.0° | 120.1° |
| O17 | C31 | C30 | C32 | 119.0° | 120.3° |
| O17 | C31 | C30 | H31 | 122.6° | 119.7° |
| O17 | C31 | C32 | H31 | 122.6° | 119.6° |
| O17 | C31 | C30 | C29 | 81.7° | 71.9° |
| O17 | C31 | C32 | C39 | 71.1° | 76.0° |
| O17 | C31 | C32 | C33 | 109.8° | 104.0° |
| O17 | C31 | C30 | H30 | 158.3° | 168.3° |
| O17 | C31 | C30 | H30A | 38.3° | 47.8° |
| C30 | C31 | C32 | H31 | 117.2° | 120.2° |
| C31 | C30 | C29 | H30 | 120.0° | 119.8° |
| C31 | C30 | C29 | H30A | 120.0° | 119.7° |
| C30 | C31 | C32 | C39 | 168.7° | 163.8° |
| C30 | C31 | C32 | C33 | 10.4° | 16.2° |
| C31 | C30 | C29 | C34 | 51.5° | 67.5° |
| C31 | C30 | C29 | C38 | 65.1° | 52.2° |
| C31 | C30 | C29 | C28 | 171.4° | 172.6° |
| C31 | C30 | H30 | H30A | 116.9° | 120.6° |
| C32 | C31 | C30 | C29 | 37.3° | 48.3° |
| C31 | C32 | C39 | C33 | 179.1° | 180.0° |
| C31 | C32 | C33 | C34 | 3.2° | 0.5° |
| C32 | C31 | C30 | H30 | 82.7° | 71.4° |
| C32 | C31 | C30 | H30A | 157.3° | 168.0° |
| C31 | C32 | C39 | H39 | 180.0° | 90.0° |
| C31 | C32 | C39 | H39A | 60.0° | 150.0° |
| C31 | C32 | C39 | H39B | 60.0° | 30.0° |
| C31 | C32 | C33 | H33 | 176.8° | 179.4° |
| C30 | C29 | C34 | C33 | 42.9° | 50.4° |
| C30 | C29 | C34 | O10 | 76.5° | 70.3° |
| C30 | C29 | C34 | C38 | 119.2° | 119.7° |
| C30 | C29 | C34 | C28 | 120.3° | 119.7° |
| C30 | C29 | C38 | C28 | 124.3° | 120.2° |
| C30 | C29 | C38 | O12 | 38.7° | 53.8° |
| C30 | C29 | C28 | C37 | 62.4° | 66.1° |
| C30 | C29 | C28 | C35 | 61.4° | 58.8° |
| C30 | C29 | C28 | C27 | 167.4° | 169.0° |
| C29 | C30 | C31 | H31 | 155.7° | 168.4° |
| C29 | C30 | H30 | H30A | 117.0° | 120.5° |
| C30 | C29 | C34 | H34 | 160.0° | 169.5° |
| C30 | C29 | C38 | H38 | 81.3° | 66.2° |
| C30 | C29 | C38 | H38A | 158.7° | 173.8° |
| C39 | C32 | C33 | C34 | 175.9° | 179.5° |
| C39 | C32 | C31 | H31 | 51.5° | 43.6° |
| C32 | C39 | H39 | H39A | 120.0° | 120.0° |
| C32 | C39 | H39 | H39B | 120.0° | 120.0° |
| C32 | C39 | H39A | H39B | 120.0° | 120.0° |
| C39 | C32 | C33 | H33 | 4.1° | 0.6° |
| C32 | C33 | C34 | H33 | 180.0° | 179.9° |
| C32 | C33 | C34 | O10 | 98.1° | 104.3° |
| C32 | C33 | C34 | C29 | 22.1° | 18.0° |
| C33 | C32 | C31 | H31 | 127.6° | 136.4° |
| C33 | C32 | C39 | H39 | 0.9° | 90.0° |
| C33 | C32 | C39 | H39A | 120.9° | 30.0° |
| C33 | C32 | C39 | H39B | 119.1° | 150.0° |
| C32 | C33 | C34 | H34 | 138.5° | 136.8° |
| C33 | C34 | O10 | C29 | 125.8° | 121.2° |
| C33 | C34 | O10 | H34 | 117.5° | 118.8° |
| C33 | C34 | C29 | H34 | 117.2° | 119.1° |
| C33 | C34 | O10 | C25 | 177.0° | 174.5° |
| C33 | C34 | C29 | C38 | 76.3° | 69.4° |
| C33 | C34 | C29 | C28 | 163.2° | 170.1° |
| O10 | C34 | C29 | H34 | 123.4° | 120.2° |
| O10 | C34 | C29 | C38 | 164.2° | 170.0° |
| O10 | C34 | C29 | C28 | 43.8° | 49.4° |
| C34 | O10 | C25 | C35 | 66.9° | 65.1° |
| C34 | O10 | C25 | C26 | 44.5° | 45.0° |
| O10 | C34 | C33 | H33 | 82.0° | 75.7° |
| C34 | O10 | C25 | H25 | 166.7° | 170.8° |
| C29 | C34 | O10 | C25 | 51.2° | 53.3° |
| C34 | C29 | C38 | C28 | 121.0° | 120.5° |
| C34 | C29 | C38 | O12 | 153.4° | 173.1° |
| C34 | C29 | C28 | C37 | 178.7° | 174.5° |
| C34 | C29 | C28 | C35 | 54.9° | 60.6° |
| C34 | C29 | C28 | C27 | 51.1° | 49.7° |
| C34 | C29 | C30 | H30 | 68.5° | 52.2° |
| C34 | C29 | C30 | H30A | 171.5° | 172.7° |
| C29 | C34 | C33 | H33 | 157.9° | 161.9° |
| C34 | C29 | C38 | H38 | 33.4° | 53.1° |
| C34 | C29 | C38 | H38A | 86.6° | 66.9° |
| O10 | C25 | C35 | C28 | 68.5° | 71.4° |
| O10 | C25 | C35 | C26 | 122.4° | 112.5° |
| O10 | C25 | C35 | H25 | 116.4° | 124.1° |
| O10 | C25 | C35 | C36 | 92.1° | 71.7° |
| O10 | C25 | C35 | O11 | 161.8° | 143.9° |
| O10 | C25 | C26 | H25 | 116.7° | 125.4° |
| O10 | C25 | C26 | C27 | 81.9° | 86.9° |
| O10 | C25 | C26 | O16 | 42.5° | 32.3° |
| C25 | O10 | C34 | H34 | 65.5° | 66.7° |
| O10 | C25 | C26 | H26 | 158.8° | 153.9° |
| C29 | C38 | O12 | H38 | 120.0° | 120.0° |
| C29 | C38 | O12 | H38A | 120.0° | 119.9° |
| C29 | C38 | O12 | C40 | 168.2° | 174.9° |
| C38 | C29 | C28 | C37 | 62.1° | 54.2° |
| C38 | C29 | C28 | C35 | 174.1° | 179.0° |
| C38 | C29 | C28 | C27 | 68.1° | 70.7° |
| C38 | C29 | C30 | H30 | 174.9° | 172.0° |
| C38 | C29 | C30 | H30A | 54.9° | 67.5° |
| C38 | C29 | C34 | H34 | 40.8° | 49.7° |
| C29 | C38 | H38 | H38A | 119.9° | 120.0° |
| C28 | C29 | C38 | O12 | 85.6° | 66.4° |
| C29 | C28 | C37 | C35 | 122.6° | 121.0° |
| C29 | C28 | C37 | C27 | 126.2° | 121.0° |
| C29 | C28 | C35 | C27 | 114.0° | 112.0° |
| C29 | C28 | C35 | C25 | 64.4° | 70.2° |
| C29 | C28 | C35 | C36 | 95.0° | 73.5° |
| C29 | C28 | C35 | O11 | 167.2° | 144.9° |
| C29 | C28 | C27 | C26 | 88.3° | 85.0° |
| C29 | C28 | C27 | O14 | 152.0° | 155.8° |
| C28 | C29 | C30 | H30 | 51.4° | 67.6° |
| C28 | C29 | C30 | H30A | 68.6° | 52.9° |
| C28 | C29 | C34 | H34 | 79.6° | 70.8° |
| C28 | C29 | C38 | H38 | 154.4° | 173.6° |
| C28 | C29 | C38 | H38A | 34.4° | 53.6° |
| C29 | C28 | C37 | H37 | 180.0° | 67.6° |
| C29 | C28 | C37 | H37A | 60.0° | 172.4° |
| C29 | C28 | C37 | H37B | 60.0° | 52.4° |
| C29 | C28 | C27 | H27 | 35.9° | 34.1° |
| C38 | O12 | C40 | C41 | 148.5° | 175.1° |
| C38 | O12 | C40 | O13 | 33.7° | 4.9° |
| O12 | C38 | H38 | H38A | 119.9° | 120.1° |
| O12 | C40 | C41 | O13 | 177.9° | 180.0° |
| C40 | O12 | C38 | H38 | 71.8° | 65.2° |
| C40 | O12 | C38 | H38A | 48.2° | 54.9° |
| O12 | C40 | C41 | H41 | 177.9° | 95.0° |
| O12 | C40 | C41 | H41A | 62.1° | 144.9° |
| O12 | C40 | C41 | H41B | 57.9° | 25.0° |
| C40 | C41 | H41 | H41A | 120.0° | 120.0° |
| C40 | C41 | H41 | H41B | 120.0° | 120.0° |
| C40 | C41 | H41A | H41B | 120.0° | 120.0° |
| O13 | C40 | C41 | H41 | 0.0° | 85.0° |
| O13 | C40 | C41 | H41A | 120.0° | 35.1° |
| O13 | C40 | C41 | H41B | 120.0° | 155.0° |
| C37 | C28 | C35 | C27 | 123.0° | 123.3° |
| C37 | C28 | C35 | C25 | 172.7° | 165.0° |
| C37 | C28 | C35 | C36 | 28.0° | 51.3° |
| C37 | C28 | C35 | O11 | 44.2° | 20.1° |
| C37 | C28 | C27 | C26 | 145.1° | 150.2° |
| C37 | C28 | C27 | O14 | 25.3° | 31.0° |
| C28 | C37 | H37 | H37A | 120.0° | 120.0° |
| C28 | C37 | H37 | H37B | 120.0° | 120.0° |
| C28 | C37 | H37A | H37B | 120.0° | 120.0° |
| C37 | C28 | C27 | H27 | 90.8° | 90.7° |
| C28 | C35 | C25 | C36 | 160.6° | 143.1° |
| C28 | C35 | C25 | O11 | 129.7° | 144.7° |
| C28 | C35 | C36 | O11 | 102.6° | 112.1° |
| C28 | C35 | C25 | C26 | 53.9° | 41.1° |
| C35 | C28 | C27 | C26 | 25.8° | 26.9° |
| C35 | C28 | C27 | O14 | 93.9° | 92.2° |
| C35 | C28 | C37 | H37 | 57.4° | 171.4° |
| C35 | C28 | C37 | H37A | 62.6° | 51.3° |
| C35 | C28 | C37 | H37B | 177.4° | 68.7° |
| C28 | C35 | C25 | H25 | 175.1° | 164.5° |
| C28 | C35 | C36 | H36 | 137.3° | 141.2° |
| C28 | C35 | C36 | H36A | 17.4° | 5.5° |
| C35 | C28 | C27 | H27 | 150.0° | 146.1° |
| C27 | C28 | C35 | C25 | 49.6° | 41.8° |
| C27 | C28 | C35 | C36 | 151.0° | 174.6° |
| C27 | C28 | C35 | O11 | 78.8° | 103.1° |
| C28 | C27 | C26 | C25 | 5.1° | 1.1° |
| C28 | C27 | C26 | O14 | 125.3° | 119.2° |
| C28 | C27 | C26 | H27 | 118.5° | 119.2° |
| C28 | C27 | O14 | H27 | 118.3° | 121.7° |
| C28 | C27 | C26 | O16 | 127.9° | 118.1° |
| C28 | C27 | O14 | C42 | 76.8° | 150.0° |
| C27 | C28 | C37 | H37 | 53.8° | 53.4° |
| C27 | C28 | C37 | H37A | 173.8° | 66.6° |
| C27 | C28 | C37 | H37B | 66.2° | 173.4° |
| C28 | C27 | C26 | H26 | 116.0° | 120.2° |
| C25 | C35 | C36 | O11 | 102.1° | 112.3° |
| C35 | C25 | C26 | H25 | 125.9° | 123.0° |
| C35 | C25 | C26 | C27 | 35.5° | 24.8° |
| C35 | C25 | C26 | O16 | 159.9° | 144.0° |
| C25 | C35 | C36 | H36 | 18.0° | 5.6° |
| C25 | C35 | C36 | H36A | 137.9° | 141.0° |
| C35 | C25 | C26 | H26 | 83.8° | 94.4° |
| C36 | C35 | C25 | C26 | 145.5° | 175.9° |
| C35 | C36 | O11 | H36 | 120.0° | 106.7° |
| C35 | C36 | O11 | H36A | 120.0° | 106.6° |
| C36 | C35 | C25 | H25 | 24.2° | 52.4° |
| C35 | C36 | H36 | H36A | 138.6° | 147.3° |
| O11 | C35 | C25 | C26 | 75.8° | 103.6° |
| O11 | C35 | C25 | H25 | 45.5° | 19.8° |
| C25 | C26 | C27 | O16 | 122.8° | 119.1° |
| C25 | C26 | C27 | H26 | 121.0° | 119.2° |
| C25 | C26 | C27 | O14 | 130.4° | 118.1° |
| C25 | C26 | O16 | H26 | 120.8° | 121.6° |
| C25 | C26 | C27 | H27 | 113.4° | 120.2° |
| C25 | C26 | O16 | HO16 | 180.0° | 61.4° |
| O11 | C36 | H36 | H36A | 138.6° | 147.3° |
| C26 | C27 | O14 | H27 | 124.1° | 121.7° |
| C27 | C26 | O16 | H26 | 119.0° | 121.7° |
| C26 | C27 | O14 | C42 | 165.6° | 93.4° |
| C27 | C26 | C25 | H25 | 161.4° | 147.7° |
| C27 | C26 | O16 | HO16 | 59.8° | 178.1° |
| O14 | C27 | C26 | O16 | 106.8° | 122.7° |
| C27 | O14 | C42 | O15 | 29.0° | 0.1° |
| C27 | O14 | C42 | C43 | 150.7° | 180.0° |
| O14 | C27 | C26 | H26 | 9.3° | 1.0° |
| O16 | C26 | C25 | H25 | 74.2° | 93.1° |
| O16 | C26 | C27 | H27 | 9.4° | 1.1° |
| O14 | C42 | O15 | C43 | 179.6° | 179.9° |
| C42 | O14 | C27 | H27 | 41.5° | 28.2° |
| O14 | C42 | C43 | H43 | 179.7° | 0.0° |
| O14 | C42 | C43 | H43A | 60.3° | 120.0° |
| O14 | C42 | C43 | H43B | 59.6° | 120.0° |
| O15 | C42 | C43 | H43 | 0.0° | 180.0° |
| O15 | C42 | C43 | H43A | 120.0° | 60.1° |
| O15 | C42 | C43 | H43B | 120.0° | 59.9° |
| C42 | C43 | H43 | H43A | 120.0° | 120.0° |
| C42 | C43 | H43 | H43B | 120.0° | 120.0° |
| C42 | C43 | H43A | H43B | 120.0° | 120.0° |
| H47 | C47 | H47A | H47B | 120.0° | 119.9° |
| H31 | C31 | C30 | H30 | 35.7° | 48.7° |
| H31 | C31 | C30 | H30A | 84.3° | 71.9° |
| H39 | C39 | H39A | H39B | 120.0° | 120.0° |
| H33 | C33 | C34 | H34 | 41.5° | 43.1° |
| H41 | C41 | H41A | H41B | 120.0° | 120.0° |
| H37 | C37 | H37A | H37B | 120.0° | 119.9° |
| H25 | C25 | C26 | H26 | 42.1° | 28.6° |
| H27 | C27 | C26 | H26 | 125.5° | 120.6° |
| H26 | C26 | O16 | HO16 | 59.2° | 60.2° |
| H43 | C43 | H43A | H43B | 120.0° | 119.9° |
