A1ETS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O37 | C36 | sing | 1.43Å | 1.40Å | |
| O38 | C33 | sing | 1.43Å | 1.44Å | |
| C36 | C33 | sing | 1.53Å | 1.52Å | |
| C33 | C34 | sing | 1.55Å | 1.67Å | |
| C33 | C32 | sing | 1.54Å | 1.30Å | |
| O39 | C32 | sing | 1.43Å | 1.40Å | |
| C01 | C02 | sing | 1.54Å | 1.52Å | |
| C01 | C06 | sing | 1.52Å | 1.43Å | |
| C34 | O35 | sing | 1.44Å | 1.31Å | |
| C02 | C13 | sing | 1.51Å | 1.54Å | |
| C02 | O03 | sing | 1.43Å | 1.46Å | |
| C32 | C31 | sing | 1.54Å | 1.59Å | |
| O07 | C06 | doub | 1.21Å | 1.18Å | |
| C06 | C05 | sing | 1.47Å | 1.47Å | |
| O35 | C31 | sing | 1.44Å | 1.56Å | |
| C13 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| O03 | C04 | sing | 1.35Å | 1.52Å | |
| C31 | O30 | sing | 1.43Å | 1.40Å | |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| O25 | C20 | sing | 1.43Å | 1.47Å | |
| O25 | C24 | sing | 1.43Å | 1.46Å | |
| C05 | C04 | doub | 1.41Å | 1.40Å | Aromatic |
| C05 | C08 | sing | 1.40Å | 1.42Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C16 | O19 | sing | 1.36Å | 1.41Å | |
| C20 | O19 | sing | 1.43Å | 1.41Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| O30 | C21 | sing | 1.43Å | 1.42Å | |
| O28 | C23 | sing | 1.43Å | 1.40Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | C26 | sing | 1.53Å | 1.53Å | |
| C08 | C09 | doub | 1.37Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.47Å | |
| C11 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| O27 | C26 | sing | 1.43Å | 1.40Å | |
| C23 | C22 | sing | 1.53Å | 1.47Å | |
| C22 | O29 | sing | 1.43Å | 1.41Å | |
| C09 | C10 | sing | 1.39Å | 1.42Å | Aromatic |
| C10 | O12 | sing | 1.36Å | 1.40Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C02 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.08Å | 1.08Å | |
| C09 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C31 | H18 | sing | 1.09Å | 1.10Å | |
| C32 | H19 | sing | 1.09Å | 1.10Å | |
| C34 | H20 | sing | 1.09Å | 1.10Å | |
| C34 | H21 | sing | 1.09Å | 1.10Å | |
| C36 | H22 | sing | 1.09Å | 1.10Å | |
| C36 | H23 | sing | 1.09Å | 1.10Å | |
| O12 | H24 | sing | 0.97Å | 0.95Å | |
| O27 | H25 | sing | 0.97Å | 0.95Å | |
| O28 | H26 | sing | 0.97Å | 0.95Å | |
| O29 | H27 | sing | 0.97Å | 0.95Å | |
| O37 | H28 | sing | 0.97Å | 0.95Å | |
| O38 | H29 | sing | 0.97Å | 0.95Å | |
| O39 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O37 | C36 | C33 | 108.1° | 109.5° |
| O37 | C36 | H22 | 109.8° | 109.5° |
| O37 | C36 | H23 | 109.8° | 109.5° |
| C36 | O37 | H28 | 109.5° | 114.0° |
| O38 | C33 | C36 | 109.9° | 110.5° |
| O38 | C33 | C34 | 109.6° | 110.5° |
| O38 | C33 | C32 | 109.2° | 110.6° |
| C33 | O38 | H29 | 109.5° | 114.0° |
| C36 | C33 | C34 | 110.2° | 110.5° |
| C36 | C33 | C32 | 110.3° | 110.5° |
| C33 | C36 | H22 | 109.8° | 109.5° |
| C33 | C36 | H23 | 109.8° | 109.4° |
| C34 | C33 | C32 | 107.7° | 104.0° |
| C33 | C34 | O35 | 108.7° | 104.8° |
| C33 | C34 | H20 | 109.7° | 110.4° |
| C33 | C34 | H21 | 109.7° | 110.3° |
| C33 | C32 | O39 | 110.0° | 110.5° |
| C33 | C32 | C31 | 106.9° | 104.1° |
| C33 | C32 | H19 | 111.9° | 110.5° |
| O39 | C32 | C31 | 110.1° | 110.5° |
| O39 | C32 | H19 | 110.2° | 110.5° |
| C32 | O39 | H30 | 109.5° | 114.0° |
| C02 | C01 | C06 | 116.7° | 107.3° |
| C01 | C02 | C13 | 110.7° | 109.5° |
| C01 | C02 | O03 | 114.8° | 109.2° |
| C02 | C01 | H9 | 107.6° | 109.9° |
| C02 | C01 | H10 | 107.7° | 109.9° |
| C01 | C02 | H11 | 107.6° | 109.5° |
| C01 | C06 | O07 | 119.8° | 121.8° |
| C01 | C06 | C05 | 120.4° | 116.5° |
| C06 | C01 | H9 | 107.6° | 109.8° |
| C06 | C01 | H10 | 107.6° | 110.0° |
| C34 | O35 | C31 | 107.4° | 105.3° |
| O35 | C34 | H20 | 109.7° | 110.4° |
| O35 | C34 | H21 | 109.6° | 110.4° |
| C13 | C02 | O03 | 107.6° | 109.5° |
| C02 | C13 | C18 | 119.8° | 119.9° |
| C02 | C13 | C14 | 120.5° | 120.0° |
| C13 | C02 | H11 | 107.4° | 109.5° |
| C02 | O03 | C04 | 113.4° | 118.6° |
| O03 | C02 | H11 | 108.4° | 109.7° |
| C32 | C31 | O35 | 106.0° | 104.8° |
| C32 | C31 | O30 | 110.6° | 110.4° |
| C32 | C31 | H18 | 109.3° | 110.5° |
| C31 | C32 | H19 | 107.7° | 110.5° |
| O07 | C06 | C05 | 119.8° | 121.7° |
| C06 | C05 | C04 | 119.9° | 119.0° |
| C06 | C05 | C08 | 120.1° | 120.7° |
| O35 | C31 | O30 | 109.2° | 110.3° |
| O35 | C31 | H18 | 109.6° | 110.3° |
| C18 | C13 | C14 | 119.7° | 120.1° |
| C13 | C18 | C17 | 120.4° | 120.0° |
| C13 | C18 | H16 | 119.8° | 120.0° |
| C13 | C14 | C15 | 119.9° | 120.1° |
| C13 | C14 | H15 | 120.1° | 120.0° |
| O03 | C04 | C05 | 119.9° | 120.8° |
| O03 | C04 | C11 | 119.7° | 120.0° |
| C31 | O30 | C21 | 114.9° | 114.0° |
| O30 | C31 | H18 | 111.9° | 110.4° |
| C18 | C17 | C16 | 119.8° | 120.0° |
| C18 | C17 | H2 | 120.1° | 120.0° |
| C17 | C18 | H16 | 119.8° | 120.0° |
| C14 | C15 | C16 | 120.7° | 119.9° |
| C14 | C15 | H1 | 119.6° | 120.0° |
| C15 | C14 | H15 | 120.1° | 120.0° |
| C17 | C16 | C15 | 119.5° | 119.9° |
| C17 | C16 | O19 | 120.3° | 120.1° |
| C16 | C17 | H2 | 120.1° | 120.1° |
| C20 | O25 | C24 | 117.0° | 114.1° |
| O25 | C20 | O19 | 109.5° | 109.5° |
| O25 | C20 | C21 | 116.5° | 109.4° |
| O25 | C20 | H3 | 107.0° | 109.5° |
| O25 | C24 | C23 | 113.6° | 109.4° |
| O25 | C24 | C26 | 110.8° | 109.4° |
| O25 | C24 | H6 | 107.5° | 109.5° |
| C04 | C05 | C08 | 120.0° | 120.3° |
| C05 | C04 | C11 | 120.3° | 119.2° |
| C05 | C08 | C09 | 119.8° | 119.7° |
| C05 | C08 | H12 | 120.1° | 120.1° |
| C15 | C16 | O19 | 120.2° | 120.0° |
| C16 | C15 | H1 | 119.7° | 120.0° |
| C04 | C11 | C10 | 119.7° | 119.9° |
| C04 | C11 | H14 | 120.2° | 120.1° |
| C16 | O19 | C20 | 109.6° | 117.0° |
| O19 | C20 | C21 | 109.5° | 109.5° |
| O19 | C20 | H3 | 107.8° | 109.4° |
| C20 | C21 | O30 | 112.8° | 109.6° |
| C20 | C21 | C22 | 116.9° | 109.2° |
| C21 | C20 | H3 | 106.2° | 109.5° |
| C20 | C21 | H4 | 104.4° | 109.6° |
| O30 | C21 | C22 | 110.8° | 109.5° |
| O30 | C21 | H4 | 105.7° | 109.5° |
| O28 | C23 | C24 | 108.7° | 109.6° |
| O28 | C23 | C22 | 108.1° | 109.5° |
| O28 | C23 | H17 | 109.2° | 109.5° |
| C23 | O28 | H26 | 109.5° | 114.1° |
| C23 | C24 | C26 | 111.1° | 109.5° |
| C24 | C23 | C22 | 115.0° | 109.2° |
| C23 | C24 | H6 | 106.7° | 109.5° |
| C24 | C23 | H17 | 107.5° | 109.6° |
| C24 | C26 | O27 | 109.3° | 109.5° |
| C26 | C24 | H6 | 106.7° | 109.5° |
| C24 | C26 | H7 | 109.5° | 109.5° |
| C24 | C26 | H8 | 109.5° | 109.5° |
| C08 | C09 | C10 | 120.2° | 120.3° |
| C09 | C08 | H12 | 120.1° | 120.2° |
| C08 | C09 | H13 | 119.9° | 119.8° |
| C21 | C22 | C23 | 115.8° | 109.0° |
| C21 | C22 | O29 | 109.0° | 109.6° |
| C22 | C21 | H4 | 105.1° | 109.5° |
| C21 | C22 | H5 | 107.0° | 109.5° |
| C11 | C10 | C09 | 120.0° | 120.6° |
| C11 | C10 | O12 | 120.0° | 119.7° |
| C10 | C11 | H14 | 120.1° | 120.1° |
| O27 | C26 | H7 | 109.5° | 109.5° |
| O27 | C26 | H8 | 109.5° | 109.5° |
| C26 | O27 | H25 | 109.5° | 114.0° |
| C23 | C22 | O29 | 109.7° | 109.6° |
| C23 | C22 | H5 | 107.1° | 109.5° |
| C22 | C23 | H17 | 108.3° | 109.5° |
| O29 | C22 | H5 | 107.8° | 109.6° |
| C22 | O29 | H27 | 109.5° | 114.0° |
| C09 | C10 | O12 | 120.0° | 119.8° |
| C10 | C09 | H13 | 119.9° | 119.8° |
| C10 | O12 | H24 | 109.5° | 114.1° |
| H7 | C26 | H8 | 109.5° | 109.5° |
| H9 | C01 | H10 | 109.5° | 109.9° |
| H20 | C34 | H21 | 109.5° | 110.4° |
| H22 | C36 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O37 | C36 | C33 | O38 | 23.6° | 61.1° |
| O37 | C36 | C33 | H22 | 119.8° | 120.0° |
| O37 | C36 | C33 | H23 | 119.8° | 120.0° |
| O37 | C36 | C33 | C34 | 144.5° | 61.5° |
| O37 | C36 | C33 | C32 | 96.7° | 176.1° |
| O37 | C36 | H22 | H23 | 120.6° | 120.0° |
| O38 | C33 | C36 | C34 | 120.9° | 122.6° |
| O38 | C33 | C36 | C32 | 120.4° | 122.8° |
| O38 | C33 | C34 | C32 | 118.6° | 118.8° |
| O38 | C33 | C32 | O39 | 19.0° | 0.1° |
| O38 | C33 | C34 | O35 | 100.6° | 142.8° |
| O38 | C33 | C32 | C31 | 100.5° | 118.7° |
| O38 | C33 | C32 | H19 | 141.8° | 122.6° |
| O38 | C33 | C34 | H20 | 19.3° | 23.9° |
| O38 | C33 | C34 | H21 | 139.6° | 98.4° |
| O38 | C33 | C36 | H22 | 96.1° | 178.8° |
| O38 | C33 | C36 | H23 | 143.4° | 58.8° |
| C36 | C33 | C34 | C32 | 120.3° | 118.6° |
| C36 | C33 | C32 | O39 | 101.8° | 122.8° |
| C36 | C33 | C34 | O35 | 138.4° | 94.6° |
| C36 | C33 | C32 | C31 | 138.7° | 118.6° |
| C36 | C33 | C32 | H19 | 21.0° | 0.1° |
| C36 | C33 | C34 | H20 | 101.8° | 146.5° |
| C36 | C33 | C34 | H21 | 18.5° | 24.2° |
| C33 | C36 | H22 | H23 | 120.6° | 120.0° |
| C33 | C36 | O37 | H28 | 180.0° | 179.9° |
| C36 | C33 | O38 | H29 | 180.0° | 59.3° |
| C34 | C33 | C32 | O39 | 137.8° | 118.6° |
| C33 | C34 | O35 | H20 | 119.9° | 118.8° |
| C33 | C34 | O35 | H21 | 119.9° | 118.8° |
| C34 | C33 | C32 | C31 | 18.4° | 0.0° |
| C33 | C34 | O35 | C31 | 7.6° | 40.5° |
| C34 | C33 | C32 | H19 | 99.3° | 118.7° |
| C33 | C34 | H20 | H21 | 120.4° | 122.3° |
| C34 | C33 | C36 | H22 | 24.7° | 58.5° |
| C34 | C33 | C36 | H23 | 95.7° | 178.6° |
| C34 | C33 | O38 | H29 | 58.7° | 63.3° |
| C33 | C32 | O39 | C31 | 117.5° | 114.7° |
| C33 | C32 | O39 | H19 | 123.8° | 122.7° |
| C32 | C33 | C34 | O35 | 18.0° | 24.0° |
| C33 | C32 | C31 | H19 | 120.4° | 118.7° |
| C33 | C32 | C31 | O35 | 14.5° | 24.0° |
| C33 | C32 | C31 | O30 | 132.8° | 142.8° |
| C33 | C32 | C31 | H18 | 103.5° | 94.8° |
| C32 | C33 | C34 | H20 | 137.9° | 94.9° |
| C32 | C33 | C34 | H21 | 101.8° | 142.8° |
| C32 | C33 | C36 | H22 | 143.5° | 56.0° |
| C32 | C33 | C36 | H23 | 23.1° | 64.0° |
| C32 | C33 | O38 | H29 | 59.0° | 178.0° |
| C33 | C32 | O39 | H30 | 180.0° | 180.0° |
| O39 | C32 | C31 | H19 | 120.1° | 122.7° |
| O39 | C32 | C31 | O35 | 134.0° | 142.6° |
| O39 | C32 | C31 | O30 | 107.8° | 98.6° |
| O39 | C32 | C31 | H18 | 15.9° | 23.8° |
| C02 | C01 | C06 | H9 | 121.0° | 119.4° |
| C02 | C01 | C06 | H10 | 121.0° | 119.5° |
| C01 | C02 | C13 | O03 | 126.2° | 119.6° |
| C01 | C02 | C13 | H11 | 117.2° | 120.0° |
| C01 | C02 | O03 | H11 | 120.4° | 120.0° |
| C02 | C01 | C06 | O07 | 172.0° | 139.8° |
| C02 | C01 | C06 | C05 | 8.1° | 40.1° |
| C01 | C02 | C13 | C18 | 167.1° | 95.0° |
| C01 | C02 | C13 | C14 | 13.0° | 85.3° |
| C01 | C02 | O03 | C04 | 45.1° | 53.0° |
| C02 | C01 | H9 | H10 | 116.8° | 121.1° |
| C06 | C01 | C02 | C13 | 85.7° | 178.7° |
| C06 | C01 | C02 | O03 | 36.3° | 58.8° |
| C01 | C06 | O07 | C05 | 179.9° | 180.0° |
| C01 | C06 | C05 | C04 | 10.0° | 12.2° |
| C01 | C06 | C05 | C08 | 169.9° | 168.3° |
| C06 | C01 | H9 | H10 | 116.7° | 121.1° |
| C06 | C01 | C02 | H11 | 157.1° | 61.3° |
| C34 | O35 | C31 | C32 | 2.6° | 40.5° |
| C34 | O35 | C31 | O30 | 121.8° | 159.4° |
| C34 | O35 | C31 | H18 | 115.2° | 78.4° |
| O35 | C34 | H20 | H21 | 120.4° | 122.3° |
| C13 | C02 | O03 | H11 | 115.9° | 120.2° |
| C02 | C13 | C18 | C14 | 179.9° | 179.6° |
| C13 | C02 | O03 | C04 | 78.6° | 172.8° |
| C02 | C13 | C18 | C17 | 179.8° | 179.8° |
| C02 | C13 | C14 | C15 | 179.8° | 180.0° |
| C13 | C02 | C01 | H9 | 35.3° | 62.0° |
| C13 | C02 | C01 | H10 | 153.2° | 59.1° |
| C02 | C13 | C14 | H15 | 0.2° | 0.1° |
| C02 | C13 | C18 | H16 | 0.2° | 0.0° |
| O03 | C02 | C13 | C18 | 66.7° | 145.3° |
| O03 | C02 | C13 | C14 | 113.2° | 34.3° |
| C02 | O03 | C04 | C05 | 27.8° | 23.0° |
| C02 | O03 | C04 | C11 | 152.2° | 157.5° |
| O03 | C02 | C01 | H9 | 157.4° | 178.2° |
| O03 | C02 | C01 | H10 | 84.7° | 60.8° |
| C32 | C31 | O35 | O30 | 119.2° | 118.9° |
| C32 | C31 | O35 | H18 | 117.9° | 118.9° |
| C32 | C31 | O30 | H18 | 122.2° | 122.4° |
| C32 | C31 | O30 | C21 | 119.2° | 178.2° |
| C31 | C32 | O39 | H30 | 62.5° | 65.3° |
| O07 | C06 | C05 | C04 | 169.8° | 167.8° |
| O07 | C06 | C05 | C08 | 10.2° | 11.8° |
| O07 | C06 | C01 | H9 | 51.0° | 20.4° |
| O07 | C06 | C01 | H10 | 66.9° | 100.6° |
| C06 | C05 | C04 | O03 | 0.0° | 1.1° |
| C06 | C05 | C04 | C08 | 180.0° | 179.5° |
| C06 | C05 | C04 | C11 | 180.0° | 179.4° |
| C06 | C05 | C08 | C09 | 180.0° | 179.3° |
| C05 | C06 | C01 | H9 | 129.1° | 159.5° |
| C05 | C06 | C01 | H10 | 112.9° | 79.4° |
| C06 | C05 | C08 | H12 | 0.0° | 0.7° |
| O35 | C31 | O30 | H18 | 121.5° | 122.2° |
| O35 | C31 | O30 | C21 | 124.6° | 66.4° |
| O35 | C31 | C32 | H19 | 105.9° | 94.7° |
| C31 | O35 | C34 | H20 | 127.5° | 78.3° |
| C31 | O35 | C34 | H21 | 112.2° | 159.3° |
| C13 | C18 | C17 | H16 | 180.0° | 179.7° |
| C18 | C13 | C14 | C15 | 0.1° | 0.3° |
| C13 | C18 | C17 | C16 | 0.1° | 0.5° |
| C13 | C18 | C17 | H2 | 179.9° | 179.7° |
| C18 | C13 | C02 | H11 | 49.9° | 25.0° |
| C18 | C13 | C14 | H15 | 179.9° | 179.7° |
| C14 | C13 | C18 | C17 | 0.1° | 0.6° |
| C13 | C14 | C15 | H15 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C13 | C14 | C15 | H1 | 179.9° | 179.9° |
| C14 | C13 | C02 | H11 | 130.2° | 154.7° |
| C14 | C13 | C18 | H16 | 179.9° | 179.7° |
| O03 | C04 | C05 | C11 | 180.0° | 179.5° |
| O03 | C04 | C05 | C08 | 180.0° | 179.3° |
| O03 | C04 | C11 | C10 | 180.0° | 179.7° |
| C04 | O03 | C02 | H11 | 165.4° | 67.0° |
| O03 | C04 | C11 | H14 | 0.0° | 0.7° |
| C31 | O30 | C21 | C20 | 27.6° | 90.3° |
| C31 | O30 | C21 | C22 | 105.5° | 149.9° |
| C31 | O30 | C21 | H4 | 141.1° | 29.9° |
| O30 | C31 | C32 | H19 | 12.4° | 24.1° |
| C18 | C17 | C16 | H2 | 180.0° | 179.8° |
| C18 | C17 | C16 | C15 | 0.1° | 0.2° |
| C18 | C17 | C16 | O19 | 180.0° | 179.8° |
| C14 | C15 | C16 | C17 | 0.1° | 0.1° |
| C14 | C15 | C16 | H1 | 180.0° | 179.9° |
| C14 | C15 | C16 | O19 | 180.0° | 180.0° |
| C17 | C16 | C15 | O19 | 179.9° | 180.0° |
| C17 | C16 | O19 | C20 | 128.4° | 0.0° |
| C17 | C16 | C15 | H1 | 179.9° | 180.0° |
| C16 | C17 | C18 | H16 | 179.9° | 179.8° |
| O25 | C20 | O19 | C16 | 121.6° | 65.1° |
| O25 | C20 | O19 | C21 | 128.9° | 119.9° |
| O25 | C20 | O19 | H3 | 116.0° | 120.1° |
| O25 | C20 | C21 | H3 | 119.0° | 120.1° |
| O25 | C20 | C21 | O30 | 100.5° | 177.6° |
| C20 | O25 | C24 | C23 | 43.0° | 61.2° |
| C20 | O25 | C24 | C26 | 83.0° | 178.8° |
| O25 | C20 | C21 | C22 | 29.6° | 57.6° |
| O25 | C20 | C21 | H4 | 145.2° | 62.3° |
| C20 | O25 | C24 | H6 | 160.8° | 58.8° |
| C24 | O25 | C20 | O19 | 90.4° | 178.9° |
| C24 | O25 | C20 | C21 | 34.6° | 61.2° |
| O25 | C24 | C23 | O28 | 74.0° | 177.6° |
| O25 | C24 | C23 | C26 | 125.8° | 119.9° |
| O25 | C24 | C23 | H6 | 118.3° | 120.0° |
| O25 | C24 | C26 | H6 | 116.7° | 120.0° |
| O25 | C24 | C26 | O27 | 14.1° | 65.1° |
| O25 | C24 | C23 | C22 | 47.4° | 57.6° |
| C24 | O25 | C20 | H3 | 153.1° | 58.9° |
| O25 | C24 | C26 | H7 | 134.1° | 175.0° |
| O25 | C24 | C26 | H8 | 105.9° | 55.0° |
| O25 | C24 | C23 | H17 | 168.0° | 62.2° |
| C04 | C05 | C08 | C09 | 0.0° | 0.3° |
| C05 | C04 | C11 | C10 | 0.0° | 0.2° |
| C04 | C05 | C08 | H12 | 180.0° | 179.8° |
| C05 | C04 | C11 | H14 | 180.0° | 179.8° |
| C08 | C05 | C04 | C11 | 0.0° | 0.2° |
| C05 | C08 | C09 | H12 | 180.0° | 180.0° |
| C05 | C08 | C09 | C10 | 0.0° | 0.0° |
| C05 | C08 | C09 | H13 | 180.0° | 180.0° |
| C15 | C16 | O19 | C20 | 51.7° | 179.9° |
| C15 | C16 | C17 | H2 | 179.9° | 180.0° |
| C16 | C15 | C14 | H15 | 179.9° | 180.0° |
| C04 | C11 | C10 | H14 | 180.0° | 179.6° |
| C04 | C11 | C10 | C09 | 0.0° | 0.4° |
| C04 | C11 | C10 | O12 | 180.0° | 179.7° |
| C16 | O19 | C20 | C21 | 109.5° | 175.0° |
| O19 | C16 | C15 | H1 | 0.0° | 0.1° |
| O19 | C16 | C17 | H2 | 0.0° | 0.0° |
| C16 | O19 | C20 | H3 | 5.5° | 55.0° |
| O19 | C20 | C21 | H3 | 116.1° | 120.0° |
| O19 | C20 | C21 | O30 | 134.6° | 62.5° |
| O19 | C20 | C21 | C22 | 95.3° | 177.6° |
| O19 | C20 | C21 | H4 | 20.3° | 57.7° |
| C20 | C21 | O30 | C22 | 133.2° | 119.7° |
| C20 | C21 | O30 | H4 | 113.5° | 120.2° |
| C20 | C21 | C22 | H4 | 115.2° | 119.9° |
| C20 | C21 | C22 | C23 | 34.4° | 56.9° |
| C20 | C21 | C22 | O29 | 89.8° | 176.9° |
| C20 | C21 | C22 | H5 | 153.8° | 62.9° |
| O30 | C21 | C22 | H4 | 113.8° | 120.1° |
| O30 | C21 | C22 | C23 | 96.6° | 176.9° |
| O30 | C21 | C22 | O29 | 139.1° | 63.2° |
| O30 | C21 | C20 | H3 | 18.5° | 57.5° |
| O30 | C21 | C22 | H5 | 22.7° | 57.1° |
| C21 | O30 | C31 | H18 | 3.0° | 55.8° |
| O28 | C23 | C24 | C22 | 121.4° | 119.9° |
| O28 | C23 | C24 | H17 | 118.0° | 120.2° |
| O28 | C23 | C24 | C26 | 160.2° | 62.5° |
| O28 | C23 | C22 | C21 | 78.3° | 176.9° |
| O28 | C23 | C22 | H17 | 118.2° | 120.1° |
| O28 | C23 | C22 | O29 | 157.8° | 63.2° |
| O28 | C23 | C22 | H5 | 41.0° | 57.1° |
| O28 | C23 | C24 | H6 | 44.3° | 57.5° |
| C23 | C24 | C26 | H6 | 116.0° | 120.1° |
| C24 | C23 | C22 | C21 | 43.4° | 56.9° |
| C23 | C24 | C26 | O27 | 141.4° | 175.0° |
| C24 | C23 | C22 | H17 | 120.2° | 119.9° |
| C24 | C23 | C22 | O29 | 80.5° | 176.9° |
| C24 | C23 | C22 | H5 | 162.7° | 62.9° |
| C23 | C24 | C26 | H7 | 98.6° | 55.0° |
| C23 | C24 | C26 | H8 | 21.4° | 65.0° |
| C24 | C23 | O28 | H26 | 180.0° | 60.3° |
| C24 | C26 | O27 | H7 | 120.0° | 120.0° |
| C24 | C26 | O27 | H8 | 120.0° | 120.0° |
| C26 | C24 | C23 | C22 | 78.4° | 177.6° |
| C24 | C26 | H7 | H8 | 120.1° | 120.0° |
| C26 | C24 | C23 | H17 | 42.2° | 57.7° |
| C24 | C26 | O27 | H25 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.0° | 0.3° |
| C08 | C09 | C10 | H13 | 180.0° | 180.0° |
| C08 | C09 | C10 | O12 | 180.0° | 179.8° |
| C21 | C22 | C23 | O29 | 123.9° | 119.9° |
| C21 | C22 | C23 | H5 | 119.3° | 119.8° |
| C21 | C22 | O29 | H5 | 115.9° | 120.2° |
| C22 | C21 | C20 | H3 | 148.6° | 62.4° |
| C21 | C22 | C23 | H17 | 163.5° | 63.0° |
| C21 | C22 | O29 | H27 | 180.0° | 180.0° |
| C11 | C10 | C09 | O12 | 180.0° | 179.8° |
| C11 | C10 | C09 | H13 | 179.9° | 179.6° |
| C11 | C10 | O12 | H24 | 180.0° | 90.3° |
| O27 | C26 | C24 | H6 | 102.6° | 55.0° |
| O27 | C26 | H7 | H8 | 120.1° | 120.0° |
| C23 | C22 | O29 | H5 | 116.4° | 120.2° |
| C23 | C22 | C21 | H4 | 149.6° | 63.0° |
| C22 | C23 | C24 | H6 | 165.7° | 62.4° |
| C22 | C23 | O28 | H26 | 54.5° | 180.0° |
| C23 | C22 | O29 | H27 | 52.2° | 60.4° |
| O29 | C22 | C21 | H4 | 25.3° | 56.9° |
| O29 | C22 | C23 | H17 | 39.6° | 57.0° |
| C10 | C09 | C08 | H12 | 180.0° | 180.0° |
| C09 | C10 | C11 | H14 | 180.0° | 180.0° |
| C09 | C10 | O12 | H24 | 0.0° | 89.9° |
| O12 | C10 | C09 | H13 | 0.0° | 0.2° |
| O12 | C10 | C11 | H14 | 0.0° | 0.1° |
| H1 | C15 | C14 | H15 | 0.1° | 0.1° |
| H2 | C17 | C18 | H16 | 0.1° | 0.1° |
| H3 | C20 | C21 | H4 | 95.8° | 177.7° |
| H4 | C21 | C22 | H5 | 91.0° | 177.2° |
| H5 | C22 | C23 | H17 | 77.2° | 177.2° |
| H5 | C22 | O29 | H27 | 64.2° | 59.8° |
| H6 | C24 | C26 | H7 | 17.4° | 65.0° |
| H6 | C24 | C26 | H8 | 137.4° | 175.0° |
| H6 | C24 | C23 | H17 | 73.7° | 177.7° |
| H7 | C26 | O27 | H25 | 60.1° | 60.0° |
| H8 | C26 | O27 | H25 | 60.0° | 60.0° |
| H9 | C01 | C02 | H11 | 81.8° | 58.0° |
| H10 | C01 | C02 | H11 | 36.1° | 179.1° |
| H12 | C08 | C09 | H13 | 0.0° | 0.1° |
| H17 | C23 | O28 | H26 | 63.1° | 59.9° |
| H18 | C31 | C32 | H19 | 136.1° | 146.5° |
| H19 | C32 | O39 | H30 | 56.1° | 57.4° |
| H22 | C36 | O37 | H28 | 60.2° | 60.1° |
| H23 | C36 | O37 | H28 | 60.2° | 60.0° |
