AHF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | S02 | sing | 1.67Å | 1.70Å | |
| N01 | C07 | sing | 1.44Å | 1.49Å | |
| N01 | C08 | sing | 1.46Å | 1.44Å | |
| S02 | N03 | sing | 1.67Å | 1.69Å | |
| S02 | O15 | doub | 1.42Å | 1.45Å | |
| S02 | O40 | doub | 1.42Å | 1.40Å | |
| N03 | C04 | sing | 1.45Å | 1.48Å | |
| N03 | C23 | sing | 1.47Å | 1.51Å | |
| C04 | C05 | sing | 1.53Å | 1.58Å | |
| C04 | C41 | sing | 1.53Å | 1.57Å | |
| C04 | H04 | sing | 1.09Å | 1.12Å | |
| C05 | C06 | sing | 1.48Å | 1.57Å | |
| C05 | O30 | sing | 1.43Å | 1.40Å | |
| C05 | H05 | sing | 1.09Å | 1.12Å | |
| C06 | C07 | sing | 1.53Å | 1.52Å | |
| C06 | O31 | sing | 1.43Å | 1.37Å | |
| C06 | H06 | sing | 1.09Å | 1.11Å | |
| C07 | C32 | sing | 1.53Å | 1.59Å | |
| C07 | H07 | sing | 1.09Å | 1.11Å | |
| C08 | C09 | sing | 1.51Å | 1.48Å | |
| C08 | H082 | sing | 1.09Å | 1.12Å | |
| C08 | H081 | sing | 1.09Å | 1.12Å | |
| C09 | C10 | doub | 1.38Å | 1.44Å | Aromatic |
| C09 | C14 | sing | 1.38Å | 1.46Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.43Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | C12 | doub | 1.38Å | 1.47Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | C13 | sing | 1.38Å | 1.48Å | Aromatic |
| C12 | C46 | sing | 1.51Å | 1.26Å | |
| C13 | C14 | doub | 1.38Å | 1.45Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| O16 | C17 | sing | 1.36Å | 1.39Å | |
| O16 | C41 | sing | 1.43Å | 1.48Å | |
| C17 | C18 | doub | 1.39Å | 1.45Å | Aromatic |
| C17 | C22 | sing | 1.39Å | 1.48Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.47Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | doub | 1.38Å | 1.46Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | sing | 1.38Å | 1.45Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | C22 | doub | 1.38Å | 1.47Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | C24 | sing | 1.51Å | 1.49Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C24 | C25 | doub | 1.38Å | 1.45Å | Aromatic |
| C24 | C29 | sing | 1.38Å | 1.47Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.48Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C26 | C27 | doub | 1.38Å | 1.48Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | C28 | sing | 1.38Å | 1.48Å | Aromatic |
| C27 | C42 | sing | 1.51Å | 1.34Å | |
| C28 | C29 | doub | 1.38Å | 1.47Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| O30 | HO3 | sing | 0.97Å | 0.95Å | |
| O31 | HO1 | sing | 0.97Å | 0.95Å | |
| C32 | O33 | sing | 1.43Å | 1.43Å | |
| C32 | H321 | sing | 1.09Å | 1.12Å | |
| C32 | H322 | sing | 1.09Å | 1.12Å | |
| O33 | C34 | sing | 1.36Å | 1.32Å | |
| C34 | C35 | doub | 1.39Å | 1.48Å | Aromatic |
| C34 | C39 | sing | 1.39Å | 1.44Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.44Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| C36 | C37 | doub | 1.38Å | 1.45Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.10Å | |
| C37 | C38 | sing | 1.38Å | 1.45Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.10Å | |
| C38 | C39 | doub | 1.38Å | 1.45Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.10Å | |
| C39 | H39 | sing | 1.08Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.11Å | |
| C41 | H412 | sing | 1.09Å | 1.11Å | |
| C42 | O43 | sing | 1.43Å | 1.37Å | |
| C42 | O44 | sing | 1.43Å | 1.34Å | |
| C42 | H42 | sing | 1.09Å | 1.12Å | |
| O43 | C45 | sing | 1.43Å | 1.37Å | |
| O44 | HO4 | sing | 0.97Å | 0.95Å | |
| C45 | H451 | sing | 1.09Å | 1.11Å | |
| C45 | H452 | sing | 1.09Å | 1.12Å | |
| C45 | H453 | sing | 1.09Å | 1.11Å | |
| C46 | O47 | sing | 1.43Å | 1.34Å | |
| C46 | H461 | sing | 1.09Å | 1.12Å | |
| C46 | H462 | sing | 1.09Å | 1.11Å | |
| O47 | HO7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S02 | N01 | C07 | 127.5° | 119.6° |
| S02 | N01 | C08 | 108.8° | 120.1° |
| N01 | S02 | N03 | 95.8° | 106.7° |
| N01 | S02 | O15 | 108.9° | 105.8° |
| N01 | S02 | O40 | 110.0° | 105.9° |
| C07 | N01 | C08 | 106.9° | 120.3° |
| N01 | C07 | C06 | 97.0° | 111.2° |
| N01 | C07 | C32 | 115.2° | 109.1° |
| N01 | C07 | H07 | 116.2° | 109.2° |
| N01 | C08 | C09 | 134.0° | 109.5° |
| N01 | C08 | H082 | 103.8° | 109.5° |
| N01 | C08 | H081 | 103.8° | 109.5° |
| N03 | S02 | O15 | 112.7° | 106.2° |
| N03 | S02 | O40 | 106.6° | 105.6° |
| S02 | N03 | C04 | 113.1° | 119.5° |
| S02 | N03 | C23 | 120.6° | 120.3° |
| O15 | S02 | O40 | 120.1° | 125.4° |
| C04 | N03 | C23 | 125.8° | 120.2° |
| N03 | C04 | C05 | 106.1° | 111.1° |
| N03 | C04 | C41 | 114.7° | 109.2° |
| N03 | C04 | H04 | 109.1° | 109.2° |
| N03 | C23 | C24 | 127.1° | 109.4° |
| N03 | C23 | H231 | 106.0° | 109.5° |
| N03 | C23 | H232 | 106.0° | 109.4° |
| C05 | C04 | C41 | 111.6° | 109.1° |
| C05 | C04 | H04 | 112.3° | 109.1° |
| C04 | C05 | C06 | 118.1° | 113.5° |
| C04 | C05 | O30 | 113.1° | 108.7° |
| C04 | C05 | H05 | 98.7° | 108.7° |
| C41 | C04 | H04 | 103.2° | 109.2° |
| C04 | C41 | O16 | 106.3° | 109.5° |
| C04 | C41 | H411 | 113.4° | 109.5° |
| C04 | C41 | H412 | 113.4° | 109.4° |
| C06 | C05 | O30 | 103.5° | 108.6° |
| C06 | C05 | H05 | 109.2° | 108.7° |
| C05 | C06 | C07 | 120.4° | 113.5° |
| C05 | C06 | O31 | 107.2° | 108.7° |
| C05 | C06 | H06 | 102.8° | 108.7° |
| O30 | C05 | H05 | 114.6° | 108.7° |
| C05 | O30 | HO3 | 113.1° | 106.8° |
| C07 | C06 | O31 | 107.0° | 108.5° |
| C07 | C06 | H06 | 102.9° | 108.8° |
| C06 | C07 | C32 | 115.3° | 109.1° |
| C06 | C07 | H07 | 116.1° | 109.1° |
| O31 | C06 | H06 | 117.3° | 108.6° |
| C06 | O31 | HO1 | 107.1° | 106.8° |
| C32 | C07 | H07 | 98.2° | 109.1° |
| C07 | C32 | O33 | 107.7° | 109.5° |
| C07 | C32 | H321 | 112.9° | 109.5° |
| C07 | C32 | H322 | 112.9° | 109.5° |
| C09 | C08 | H082 | 103.8° | 109.5° |
| C09 | C08 | H081 | 103.8° | 109.4° |
| C08 | C09 | C10 | 119.8° | 120.0° |
| C08 | C09 | C14 | 119.2° | 120.0° |
| H082 | C08 | H081 | 104.9° | 109.5° |
| C10 | C09 | C14 | 121.0° | 120.0° |
| C09 | C10 | C11 | 120.6° | 120.0° |
| C09 | C10 | H10 | 120.0° | 120.0° |
| C09 | C14 | C13 | 119.7° | 120.0° |
| C09 | C14 | H14 | 120.4° | 120.0° |
| C11 | C10 | H10 | 119.3° | 120.0° |
| C10 | C11 | C12 | 119.6° | 120.0° |
| C10 | C11 | H11 | 118.6° | 120.0° |
| C12 | C11 | H11 | 121.8° | 120.1° |
| C11 | C12 | C13 | 120.2° | 120.0° |
| C11 | C12 | C46 | 121.7° | 120.0° |
| C13 | C12 | C46 | 118.2° | 120.0° |
| C12 | C13 | C14 | 118.8° | 120.0° |
| C12 | C13 | H13 | 121.4° | 120.0° |
| C12 | C46 | O47 | 109.9° | 109.4° |
| C12 | C46 | H461 | 112.0° | 109.5° |
| C12 | C46 | H462 | 112.0° | 109.5° |
| C14 | C13 | H13 | 119.7° | 120.0° |
| C13 | C14 | H14 | 119.9° | 120.0° |
| C17 | O16 | C41 | 119.4° | 106.8° |
| O16 | C17 | C18 | 119.5° | 120.0° |
| O16 | C17 | C22 | 121.7° | 120.1° |
| O16 | C41 | H411 | 113.4° | 109.5° |
| O16 | C41 | H412 | 113.4° | 109.5° |
| C18 | C17 | C22 | 118.7° | 119.9° |
| C17 | C18 | C19 | 120.3° | 119.9° |
| C17 | C18 | H18 | 119.1° | 120.1° |
| C17 | C22 | C21 | 120.9° | 120.0° |
| C17 | C22 | H22 | 119.9° | 120.0° |
| C19 | C18 | H18 | 120.6° | 120.0° |
| C18 | C19 | C20 | 120.4° | 120.1° |
| C18 | C19 | H19 | 120.0° | 120.0° |
| C20 | C19 | H19 | 119.6° | 119.9° |
| C19 | C20 | C21 | 120.0° | 120.1° |
| C19 | C20 | H20 | 120.6° | 120.0° |
| C21 | C20 | H20 | 119.4° | 119.9° |
| C20 | C21 | C22 | 119.6° | 120.1° |
| C20 | C21 | H21 | 119.4° | 119.9° |
| C22 | C21 | H21 | 121.0° | 120.0° |
| C21 | C22 | H22 | 119.2° | 120.0° |
| C24 | C23 | H231 | 106.0° | 109.5° |
| C24 | C23 | H232 | 106.1° | 109.5° |
| C23 | C24 | C25 | 120.9° | 120.0° |
| C23 | C24 | C29 | 119.1° | 119.9° |
| H231 | C23 | H232 | 103.4° | 109.5° |
| C25 | C24 | C29 | 120.0° | 120.0° |
| C24 | C25 | C26 | 119.8° | 120.0° |
| C24 | C25 | H25 | 119.1° | 120.0° |
| C24 | C29 | C28 | 121.0° | 120.0° |
| C24 | C29 | H29 | 119.6° | 120.0° |
| C26 | C25 | H25 | 121.1° | 120.0° |
| C25 | C26 | C27 | 120.5° | 120.0° |
| C25 | C26 | H26 | 119.7° | 120.0° |
| C27 | C26 | H26 | 119.8° | 120.0° |
| C26 | C27 | C28 | 118.9° | 120.0° |
| C26 | C27 | C42 | 120.6° | 120.0° |
| C28 | C27 | C42 | 120.5° | 120.0° |
| C27 | C28 | C29 | 119.7° | 120.0° |
| C27 | C28 | H28 | 120.6° | 120.0° |
| C27 | C42 | O43 | 120.1° | 109.5° |
| C27 | C42 | O44 | 120.0° | 109.5° |
| C27 | C42 | H42 | 81.4° | 109.5° |
| C29 | C28 | H28 | 119.6° | 120.1° |
| C28 | C29 | H29 | 119.4° | 120.0° |
| O33 | C32 | H321 | 112.8° | 109.4° |
| O33 | C32 | H322 | 112.8° | 109.4° |
| C32 | O33 | C34 | 128.6° | 106.8° |
| H321 | C32 | H322 | 97.6° | 109.4° |
| O33 | C34 | C35 | 122.1° | 120.1° |
| O33 | C34 | C39 | 118.6° | 120.1° |
| C35 | C34 | C39 | 119.3° | 119.9° |
| C34 | C35 | C36 | 120.6° | 119.9° |
| C34 | C35 | H35 | 120.8° | 120.0° |
| C34 | C39 | C38 | 120.2° | 119.9° |
| C34 | C39 | H39 | 119.4° | 120.0° |
| C36 | C35 | H35 | 118.5° | 120.0° |
| C35 | C36 | C37 | 119.2° | 120.1° |
| C35 | C36 | H36 | 120.2° | 120.0° |
| C37 | C36 | H36 | 120.6° | 120.0° |
| C36 | C37 | C38 | 120.4° | 120.1° |
| C36 | C37 | H37 | 119.9° | 120.0° |
| C38 | C37 | H37 | 119.7° | 120.0° |
| C37 | C38 | C39 | 120.3° | 120.1° |
| C37 | C38 | H38 | 119.7° | 120.0° |
| C39 | C38 | H38 | 119.9° | 120.0° |
| C38 | C39 | H39 | 120.4° | 120.0° |
| H411 | C41 | H412 | 97.1° | 109.5° |
| O43 | C42 | O44 | 119.9° | 109.4° |
| O43 | C42 | H42 | 90.6° | 109.5° |
| C42 | O43 | C45 | 121.5° | 106.8° |
| O44 | C42 | H42 | 98.6° | 109.5° |
| C42 | O44 | HO4 | 120.0° | 106.8° |
| O43 | C45 | H451 | 121.5° | 109.4° |
| O43 | C45 | H452 | 107.9° | 109.5° |
| O43 | C45 | H453 | 107.9° | 109.5° |
| H451 | C45 | H452 | 107.9° | 109.5° |
| H451 | C45 | H453 | 108.0° | 109.4° |
| H452 | C45 | H453 | 102.0° | 109.5° |
| O47 | C46 | H461 | 112.0° | 109.5° |
| O47 | C46 | H462 | 112.0° | 109.4° |
| C46 | O47 | HO7 | 110.0° | 106.8° |
| H461 | C46 | H462 | 98.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S02 | N01 | C07 | C08 | 131.1° | 179.8° |
| N01 | S02 | N03 | O15 | 113.3° | 112.6° |
| N01 | S02 | N03 | O40 | 113.0° | 112.4° |
| N01 | S02 | O15 | O40 | 128.1° | 123.5° |
| N01 | S02 | N03 | C04 | 84.9° | 39.6° |
| N01 | S02 | N03 | C23 | 87.9° | 140.8° |
| S02 | N01 | C07 | C06 | 80.3° | 87.4° |
| S02 | N01 | C07 | C32 | 42.0° | 152.1° |
| S02 | N01 | C07 | H07 | 156.1° | 33.0° |
| S02 | N01 | C08 | C09 | 146.0° | 96.8° |
| S02 | N01 | C08 | H082 | 88.7° | 23.2° |
| S02 | N01 | C08 | H081 | 20.7° | 143.2° |
| C07 | N01 | S02 | N03 | 69.9° | 38.8° |
| C07 | N01 | S02 | O15 | 46.5° | 151.6° |
| C07 | N01 | S02 | O40 | 180.0° | 73.4° |
| N01 | C07 | C06 | C05 | 87.5° | 80.1° |
| N01 | C07 | C06 | C32 | 122.1° | 120.4° |
| N01 | C07 | C06 | H07 | 123.8° | 120.5° |
| N01 | C07 | C06 | O31 | 150.1° | 40.8° |
| N01 | C07 | C06 | H06 | 25.9° | 158.8° |
| N01 | C07 | C32 | H07 | 124.2° | 119.3° |
| C07 | N01 | C08 | C09 | 73.1° | 83.0° |
| C07 | N01 | C08 | H082 | 52.2° | 157.0° |
| C07 | N01 | C08 | H081 | 161.6° | 37.0° |
| N01 | C07 | C32 | O33 | 69.2° | 58.4° |
| N01 | C07 | C32 | H321 | 165.5° | 178.4° |
| N01 | C07 | C32 | H322 | 56.0° | 61.6° |
| C08 | N01 | S02 | N03 | 159.6° | 141.0° |
| C08 | N01 | S02 | O15 | 84.0° | 28.2° |
| C08 | N01 | S02 | O40 | 49.6° | 106.8° |
| C08 | N01 | C07 | C06 | 148.6° | 92.4° |
| C08 | N01 | C07 | C32 | 89.1° | 28.0° |
| C08 | N01 | C07 | H07 | 24.9° | 147.2° |
| N01 | C08 | C09 | H082 | 125.3° | 120.0° |
| N01 | C08 | C09 | H081 | 125.3° | 120.0° |
| N01 | C08 | H082 | H081 | 108.6° | 120.0° |
| N01 | C08 | C09 | C10 | 146.4° | 75.0° |
| N01 | C08 | C09 | C14 | 33.6° | 105.3° |
| N03 | S02 | O15 | O40 | 126.8° | 123.4° |
| S02 | N03 | C04 | C23 | 172.4° | 179.6° |
| S02 | N03 | C04 | C05 | 96.1° | 87.9° |
| S02 | N03 | C04 | C41 | 140.2° | 151.7° |
| S02 | N03 | C04 | H04 | 25.0° | 32.5° |
| S02 | N03 | C23 | C24 | 105.1° | 96.7° |
| S02 | N03 | C23 | H231 | 129.6° | 143.3° |
| S02 | N03 | C23 | H232 | 20.1° | 23.3° |
| O15 | S02 | N03 | C04 | 28.4° | 73.0° |
| O15 | S02 | N03 | C23 | 158.8° | 106.7° |
| O40 | S02 | N03 | C04 | 162.1° | 152.0° |
| O40 | S02 | N03 | C23 | 25.1° | 28.4° |
| N03 | C04 | C05 | C41 | 125.6° | 120.4° |
| N03 | C04 | C05 | H04 | 119.0° | 120.4° |
| N03 | C04 | C41 | H04 | 118.5° | 119.3° |
| N03 | C04 | C05 | C06 | 33.3° | 80.1° |
| N03 | C04 | C05 | O30 | 87.7° | 40.8° |
| N03 | C04 | C05 | H05 | 150.6° | 158.9° |
| N03 | C04 | C41 | O16 | 128.8° | 60.0° |
| C04 | N03 | C23 | C24 | 83.0° | 83.7° |
| C04 | N03 | C23 | H231 | 42.2° | 36.3° |
| C04 | N03 | C23 | H232 | 151.7° | 156.3° |
| N03 | C04 | C41 | H411 | 105.9° | 179.9° |
| N03 | C04 | C41 | H412 | 3.6° | 59.9° |
| C23 | N03 | C04 | C05 | 76.2° | 92.5° |
| C23 | N03 | C04 | C41 | 47.4° | 27.9° |
| C23 | N03 | C04 | H04 | 162.6° | 147.2° |
| N03 | C23 | C24 | H231 | 125.2° | 120.0° |
| N03 | C23 | C24 | H232 | 125.3° | 119.9° |
| N03 | C23 | H231 | H232 | 111.3° | 120.0° |
| N03 | C23 | C24 | C25 | 74.3° | 73.9° |
| N03 | C23 | C24 | C29 | 106.2° | 106.2° |
| C05 | C04 | C41 | H04 | 120.8° | 119.2° |
| C04 | C05 | C06 | O30 | 125.8° | 120.9° |
| C04 | C05 | C06 | H05 | 111.6° | 121.0° |
| C04 | C05 | O30 | H05 | 112.2° | 118.1° |
| C04 | C05 | C06 | C07 | 52.8° | 66.7° |
| C04 | C05 | C06 | O31 | 175.2° | 54.1° |
| C04 | C05 | C06 | H06 | 60.7° | 172.1° |
| C05 | C04 | C41 | O16 | 110.5° | 178.4° |
| C04 | C05 | O30 | HO3 | 180.0° | 180.0° |
| C05 | C04 | C41 | H411 | 14.7° | 58.4° |
| C05 | C04 | C41 | H412 | 124.2° | 61.7° |
| C41 | C04 | C05 | C06 | 158.8° | 159.5° |
| C41 | C04 | C05 | O30 | 37.8° | 79.7° |
| C41 | C04 | C05 | H05 | 83.8° | 38.4° |
| C04 | C41 | O16 | C17 | 173.3° | 179.9° |
| C04 | C41 | O16 | H411 | 125.3° | 120.1° |
| C04 | C41 | O16 | H412 | 125.2° | 120.0° |
| C04 | C41 | H411 | H412 | 119.3° | 120.0° |
| H04 | C04 | C05 | C06 | 85.8° | 40.3° |
| H04 | C04 | C05 | O30 | 153.2° | 161.2° |
| H04 | C04 | C05 | H05 | 31.6° | 80.7° |
| H04 | C04 | C41 | O16 | 10.3° | 59.2° |
| H04 | C04 | C41 | H411 | 135.5° | 60.8° |
| H04 | C04 | C41 | H412 | 114.9° | 179.2° |
| C06 | C05 | O30 | H05 | 118.9° | 118.1° |
| C05 | C06 | C07 | O31 | 122.4° | 120.9° |
| C05 | C06 | C07 | H06 | 113.4° | 121.1° |
| C05 | C06 | O31 | H06 | 114.8° | 118.1° |
| C05 | C06 | C07 | C32 | 34.6° | 159.5° |
| C05 | C06 | C07 | H07 | 148.7° | 40.4° |
| C06 | C05 | O30 | HO3 | 51.1° | 56.2° |
| C05 | C06 | O31 | HO1 | 179.9° | 60.0° |
| O30 | C05 | C06 | C07 | 178.6° | 54.2° |
| O30 | C05 | C06 | O31 | 59.0° | 175.0° |
| O30 | C05 | C06 | H06 | 65.1° | 67.0° |
| H05 | C05 | C06 | C07 | 58.8° | 172.2° |
| H05 | C05 | C06 | O31 | 63.5° | 66.9° |
| H05 | C05 | C06 | H06 | 172.3° | 51.0° |
| H05 | C05 | O30 | HO3 | 67.8° | 61.9° |
| C07 | C06 | O31 | H06 | 114.9° | 118.1° |
| C06 | C07 | C32 | H07 | 124.0° | 119.1° |
| C07 | C06 | O31 | HO1 | 49.6° | 176.2° |
| C06 | C07 | C32 | O33 | 179.0° | 179.9° |
| C06 | C07 | C32 | H321 | 53.7° | 59.9° |
| C06 | C07 | C32 | H322 | 55.8° | 60.1° |
| O31 | C06 | C07 | C32 | 87.8° | 79.5° |
| O31 | C06 | C07 | H07 | 26.3° | 161.4° |
| H06 | C06 | C07 | C32 | 148.0° | 38.4° |
| H06 | C06 | C07 | H07 | 97.9° | 80.7° |
| H06 | C06 | O31 | HO1 | 65.3° | 58.1° |
| C07 | C32 | O33 | H321 | 125.3° | 120.0° |
| C07 | C32 | O33 | H322 | 125.3° | 120.0° |
| C07 | C32 | H321 | H322 | 118.9° | 120.0° |
| C07 | C32 | O33 | C34 | 98.8° | 180.0° |
| H07 | C07 | C32 | O33 | 54.9° | 60.9° |
| H07 | C07 | C32 | H321 | 70.3° | 59.1° |
| H07 | C07 | C32 | H322 | 179.8° | 179.1° |
| C09 | C08 | H082 | H081 | 108.7° | 120.0° |
| C08 | C09 | C10 | C14 | 179.9° | 179.7° |
| C08 | C09 | C10 | C11 | 179.9° | 180.0° |
| C08 | C09 | C10 | H10 | 0.1° | 0.0° |
| C08 | C09 | C14 | C13 | 179.9° | 179.8° |
| C08 | C09 | C14 | H14 | 0.1° | 0.2° |
| H082 | C08 | C09 | C10 | 21.1° | 45.0° |
| H082 | C08 | C09 | C14 | 158.8° | 134.7° |
| H081 | C08 | C09 | C10 | 88.3° | 165.0° |
| H081 | C08 | C09 | C14 | 91.7° | 14.7° |
| C09 | C10 | C11 | H10 | 180.0° | 180.0° |
| C09 | C10 | C11 | C12 | 0.0° | 0.1° |
| C09 | C10 | C11 | H11 | 180.0° | 180.0° |
| C10 | C09 | C14 | C13 | 0.0° | 0.5° |
| C10 | C09 | C14 | H14 | 180.0° | 179.9° |
| C14 | C09 | C10 | C11 | 0.0° | 0.3° |
| C14 | C09 | C10 | H10 | 180.0° | 179.7° |
| C09 | C14 | C13 | C12 | 0.0° | 0.4° |
| C09 | C14 | C13 | H14 | 180.0° | 179.6° |
| C09 | C14 | C13 | H13 | 180.0° | 179.7° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C10 | C11 | C12 | C46 | 179.8° | 180.0° |
| H10 | C10 | C11 | C12 | 180.0° | 179.9° |
| H10 | C10 | C11 | H11 | 0.0° | 0.0° |
| C11 | C12 | C13 | C46 | 179.8° | 180.0° |
| C11 | C12 | C13 | C14 | 0.0° | 0.2° |
| C11 | C12 | C13 | H13 | 180.0° | 180.0° |
| C11 | C12 | C46 | O47 | 60.5° | 90.0° |
| C11 | C12 | C46 | H461 | 64.7° | 150.0° |
| C11 | C12 | C46 | H462 | 174.2° | 29.9° |
| H11 | C11 | C12 | C13 | 179.9° | 180.0° |
| H11 | C11 | C12 | C46 | 0.2° | 0.1° |
| C12 | C13 | C14 | H13 | 180.0° | 179.8° |
| C12 | C13 | C14 | H14 | 180.0° | 180.0° |
| C13 | C12 | C46 | O47 | 119.7° | 90.0° |
| C13 | C12 | C46 | H461 | 115.1° | 30.0° |
| C13 | C12 | C46 | H462 | 5.5° | 150.0° |
| C46 | C12 | C13 | C14 | 179.8° | 179.9° |
| C46 | C12 | C13 | H13 | 0.2° | 0.0° |
| C12 | C46 | O47 | H461 | 125.2° | 120.0° |
| C12 | C46 | O47 | H462 | 125.3° | 120.0° |
| C12 | C46 | H461 | H462 | 118.0° | 120.0° |
| C12 | C46 | O47 | HO7 | 180.0° | 180.0° |
| H13 | C13 | C14 | H14 | 0.0° | 0.2° |
| O16 | C17 | C18 | C22 | 180.0° | 179.7° |
| O16 | C17 | C18 | C19 | 179.9° | 179.9° |
| O16 | C17 | C18 | H18 | 0.2° | 0.0° |
| O16 | C17 | C22 | C21 | 179.8° | 179.7° |
| O16 | C17 | C22 | H22 | 0.2° | 0.3° |
| C17 | O16 | C41 | H411 | 61.4° | 60.0° |
| C17 | O16 | C41 | H412 | 48.1° | 60.0° |
| C41 | O16 | C17 | C18 | 139.0° | 180.0° |
| C41 | O16 | C17 | C22 | 41.0° | 0.3° |
| O16 | C41 | H411 | H412 | 119.3° | 120.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.0° | 0.1° |
| C17 | C18 | C19 | H19 | 179.9° | 180.0° |
| C18 | C17 | C22 | C21 | 0.2° | 0.6° |
| C18 | C17 | C22 | H22 | 179.8° | 180.0° |
| C22 | C17 | C18 | C19 | 0.1° | 0.3° |
| C22 | C17 | C18 | H18 | 179.9° | 179.7° |
| C17 | C22 | C21 | C20 | 0.0° | 0.6° |
| C17 | C22 | C21 | H22 | 180.0° | 179.4° |
| C17 | C22 | C21 | H21 | 180.0° | 179.7° |
| C18 | C19 | C20 | H19 | 179.9° | 179.9° |
| C18 | C19 | C20 | C21 | 0.1° | 0.1° |
| C18 | C19 | C20 | H20 | 179.9° | 180.0° |
| H18 | C18 | C19 | C20 | 180.0° | 180.0° |
| H18 | C18 | C19 | H19 | 0.1° | 0.0° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.1° | 0.3° |
| C19 | C20 | C21 | H21 | 179.9° | 180.0° |
| H19 | C19 | C20 | C21 | 179.8° | 180.0° |
| H19 | C19 | C20 | H20 | 0.2° | 0.1° |
| C20 | C21 | C22 | H21 | 180.0° | 179.7° |
| C20 | C21 | C22 | H22 | 179.9° | 180.0° |
| H20 | C20 | C21 | C22 | 179.9° | 179.7° |
| H20 | C20 | C21 | H21 | 0.1° | 0.0° |
| H21 | C21 | C22 | H22 | 0.0° | 0.3° |
| C24 | C23 | H231 | H232 | 111.4° | 120.0° |
| C23 | C24 | C25 | C29 | 179.5° | 180.0° |
| C23 | C24 | C25 | C26 | 179.5° | 180.0° |
| C23 | C24 | C25 | H25 | 0.5° | 0.0° |
| C23 | C24 | C29 | C28 | 179.5° | 179.8° |
| C23 | C24 | C29 | H29 | 0.6° | 0.1° |
| H231 | C23 | C24 | C25 | 160.5° | 166.1° |
| H231 | C23 | C24 | C29 | 19.0° | 13.9° |
| H232 | C23 | C24 | C25 | 50.9° | 46.1° |
| H232 | C23 | C24 | C29 | 128.6° | 133.9° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.1° | 0.0° |
| C24 | C25 | C26 | H26 | 179.9° | 180.0° |
| C25 | C24 | C29 | C28 | 0.0° | 0.2° |
| C25 | C24 | C29 | H29 | 179.9° | 179.9° |
| C29 | C24 | C25 | C26 | 0.0° | 0.0° |
| C29 | C24 | C25 | H25 | 180.0° | 180.0° |
| C24 | C29 | C28 | C27 | 0.0° | 0.4° |
| C24 | C29 | C28 | H29 | 180.0° | 179.7° |
| C24 | C29 | C28 | H28 | 179.9° | 180.0° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.2° | 0.3° |
| C25 | C26 | C27 | C42 | 179.8° | 180.0° |
| H25 | C25 | C26 | C27 | 179.9° | 179.9° |
| H25 | C25 | C26 | H26 | 0.1° | 0.0° |
| C26 | C27 | C28 | C42 | 180.0° | 179.7° |
| C26 | C27 | C28 | C29 | 0.2° | 0.5° |
| C26 | C27 | C28 | H28 | 179.8° | 179.9° |
| C26 | C27 | C42 | O43 | 21.0° | 180.0° |
| C26 | C27 | C42 | O44 | 159.6° | 60.1° |
| C26 | C27 | C42 | H42 | 64.6° | 59.9° |
| H26 | C26 | C27 | C28 | 179.8° | 179.7° |
| H26 | C26 | C27 | C42 | 0.2° | 0.1° |
| C27 | C28 | C29 | H28 | 180.0° | 179.6° |
| C27 | C28 | C29 | H29 | 180.0° | 179.8° |
| C28 | C27 | C42 | O43 | 159.0° | 0.3° |
| C28 | C27 | C42 | O44 | 20.4° | 120.3° |
| C28 | C27 | C42 | H42 | 115.4° | 119.7° |
| C42 | C27 | C28 | C29 | 179.8° | 179.8° |
| C42 | C27 | C28 | H28 | 0.2° | 0.2° |
| C27 | C42 | O43 | O44 | 179.4° | 120.0° |
| C27 | C42 | O43 | H42 | 80.3° | 120.0° |
| C27 | C42 | O44 | H42 | 85.0° | 120.0° |
| C27 | C42 | O43 | C45 | 179.5° | 180.0° |
| C27 | C42 | O44 | HO4 | 179.9° | 60.0° |
| H28 | C28 | C29 | H29 | 0.1° | 0.2° |
| O33 | C32 | H321 | H322 | 118.7° | 119.9° |
| C32 | O33 | C34 | C35 | 0.4° | 180.0° |
| C32 | O33 | C34 | C39 | 179.6° | 0.3° |
| H321 | C32 | O33 | C34 | 26.5° | 60.0° |
| H322 | C32 | O33 | C34 | 135.9° | 60.0° |
| O33 | C34 | C35 | C39 | 180.0° | 179.8° |
| O33 | C34 | C35 | C36 | 179.9° | 180.0° |
| O33 | C34 | C35 | H35 | 0.1° | 0.0° |
| O33 | C34 | C39 | C38 | 179.9° | 179.7° |
| O33 | C34 | C39 | H39 | 0.1° | 0.2° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.0° | 0.0° |
| C34 | C35 | C36 | H36 | 180.0° | 179.9° |
| C35 | C34 | C39 | C38 | 0.1° | 0.5° |
| C35 | C34 | C39 | H39 | 180.0° | 180.0° |
| C39 | C34 | C35 | C36 | 0.1° | 0.2° |
| C39 | C34 | C35 | H35 | 180.0° | 179.8° |
| C34 | C39 | C38 | C37 | 0.0° | 0.5° |
| C34 | C39 | C38 | H39 | 180.0° | 179.5° |
| C34 | C39 | C38 | H38 | 179.9° | 179.7° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.0° | 0.0° |
| C35 | C36 | C37 | H37 | 179.9° | 180.0° |
| H35 | C35 | C36 | C37 | 180.0° | 180.0° |
| H35 | C35 | C36 | H36 | 0.0° | 0.0° |
| C36 | C37 | C38 | H37 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 0.0° | 0.3° |
| C36 | C37 | C38 | H38 | 180.0° | 180.0° |
| H36 | C36 | C37 | C38 | 180.0° | 180.0° |
| H36 | C36 | C37 | H37 | 0.0° | 0.0° |
| C37 | C38 | C39 | H38 | 179.9° | 179.8° |
| C37 | C38 | C39 | H39 | 180.0° | 180.0° |
| H37 | C37 | C38 | C39 | 179.9° | 179.7° |
| H37 | C37 | C38 | H38 | 0.0° | 0.0° |
| H38 | C38 | C39 | H39 | 0.1° | 0.2° |
| O43 | C42 | O44 | H42 | 95.7° | 120.0° |
| O43 | C42 | O44 | HO4 | 0.7° | 60.0° |
| C42 | O43 | C45 | H451 | 180.0° | 180.0° |
| C42 | O43 | C45 | H452 | 54.8° | 60.0° |
| C42 | O43 | C45 | H453 | 54.7° | 60.1° |
| O44 | C42 | O43 | C45 | 0.1° | 60.0° |
| H42 | C42 | O43 | C45 | 100.2° | 60.0° |
| H42 | C42 | O44 | HO4 | 95.0° | 180.0° |
| O43 | C45 | H451 | H452 | 125.2° | 120.0° |
| O43 | C45 | H451 | H453 | 125.3° | 120.0° |
| O43 | C45 | H452 | H453 | 113.5° | 120.1° |
| H451 | C45 | H452 | H453 | 113.6° | 120.0° |
| O47 | C46 | H461 | H462 | 117.9° | 120.0° |
| H461 | C46 | O47 | HO7 | 54.8° | 60.0° |
| H462 | C46 | O47 | HO7 | 54.8° | 60.0° |
