PRB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.34Å | 1.38Å | |
| C1 | C10 | sing | 1.50Å | 1.51Å | |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | sing | 1.47Å | 1.38Å | |
| C2 | C19 | sing | 1.51Å | 1.51Å | |
| C3 | O3 | doub | 1.22Å | 1.24Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.50Å | 1.55Å | |
| C4 | C10 | sing | 1.52Å | 1.56Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | C6 | sing | 1.48Å | 1.50Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C6 | C7 | doub | 1.29Å | 1.39Å | |
| C6 | C20 | sing | 1.50Å | 1.47Å | |
| C7 | C8 | sing | 1.49Å | 1.52Å | |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C9 | sing | 1.54Å | 1.57Å | |
| C8 | C14 | sing | 1.52Å | 1.57Å | |
| C8 | H8 | sing | 1.09Å | 1.12Å | |
| C9 | O9 | sing | 1.44Å | 1.42Å | |
| C9 | C10 | sing | 1.50Å | 1.64Å | |
| C9 | C11 | sing | 1.52Å | 1.59Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| C10 | H10 | sing | 1.12Å | 1.11Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | C18 | sing | 1.53Å | 1.52Å | |
| C11 | H11 | sing | 1.09Å | 1.12Å | |
| C12 | O12 | sing | 1.43Å | 1.43Å | |
| C12 | C13 | sing | 1.51Å | 1.54Å | |
| C12 | H12 | sing | 1.10Å | 1.11Å | |
| O12 | HO12 | sing | 0.97Å | 0.95Å | |
| C13 | C14 | sing | 1.53Å | 1.56Å | |
| C13 | C15 | sing | 1.52Å | 1.57Å | |
| C13 | OA1 | sing | 1.46Å | 1.43Å | |
| C14 | C15 | sing | 1.53Å | 1.47Å | |
| C14 | H14 | sing | 1.10Å | 1.11Å | |
| C15 | C16 | sing | 1.54Å | 1.55Å | |
| C15 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C16 | H163 | sing | 1.09Å | 1.12Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C17 | H172 | sing | 1.09Å | 1.12Å | |
| C17 | H173 | sing | 1.09Å | 1.11Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C18 | H183 | sing | 1.09Å | 1.12Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C19 | H193 | sing | 1.09Å | 1.11Å | |
| C20 | O20 | sing | 1.43Å | 1.43Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| O20 | HO20 | sing | 0.97Å | 0.95Å | |
| OA1 | CA1 | sing | 1.34Å | 1.44Å | |
| CA1 | OA2 | doub | 1.21Å | 1.24Å | |
| CA1 | CA2 | sing | 1.51Å | 1.52Å | |
| CA2 | HA21 | sing | 1.09Å | 1.12Å | |
| CA2 | HA22 | sing | 1.09Å | 1.12Å | |
| CA2 | HA23 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C10 | 111.3° | 109.4° |
| C2 | C1 | H1 | 120.6° | 124.5° |
| C1 | C2 | C3 | 108.6° | 111.9° |
| C1 | C2 | C19 | 125.4° | 123.9° |
| C10 | C1 | H1 | 128.1° | 126.2° |
| C1 | C10 | C4 | 102.1° | 106.0° |
| C1 | C10 | C9 | 115.5° | 119.0° |
| C1 | C10 | H10 | 111.9° | 104.4° |
| C3 | C2 | C19 | 126.0° | 124.1° |
| C2 | C3 | O3 | 123.8° | 126.9° |
| C2 | C3 | C4 | 112.0° | 106.3° |
| C2 | C19 | H191 | 125.4° | 109.5° |
| C2 | C19 | H192 | 106.7° | 109.5° |
| C2 | C19 | H193 | 106.7° | 109.5° |
| O3 | C3 | C4 | 123.7° | 126.8° |
| C3 | C4 | O4 | 104.9° | 107.7° |
| C3 | C4 | C5 | 111.3° | 113.7° |
| C3 | C4 | C10 | 101.6° | 103.4° |
| O4 | C4 | C5 | 111.7° | 108.3° |
| O4 | C4 | C10 | 116.8° | 109.7° |
| C4 | O4 | HO4 | 104.9° | 106.7° |
| C5 | C4 | C10 | 109.8° | 113.7° |
| C4 | C5 | C6 | 118.1° | 114.9° |
| C4 | C5 | H51 | 109.1° | 108.2° |
| C4 | C5 | H52 | 109.1° | 108.1° |
| C4 | C10 | C9 | 113.3° | 115.5° |
| C4 | C10 | H10 | 114.2° | 105.3° |
| C6 | C5 | H51 | 109.2° | 108.4° |
| C6 | C5 | H52 | 109.1° | 108.3° |
| C5 | C6 | C7 | 123.0° | 124.9° |
| C5 | C6 | C20 | 119.7° | 117.5° |
| H51 | C5 | H52 | 101.0° | 108.8° |
| C7 | C6 | C20 | 117.2° | 117.6° |
| C6 | C7 | C8 | 124.2° | 123.5° |
| C6 | C7 | H7 | 113.3° | 118.3° |
| C6 | C20 | O20 | 114.8° | 109.5° |
| C6 | C20 | H201 | 110.2° | 109.5° |
| C6 | C20 | H202 | 110.3° | 109.5° |
| C8 | C7 | H7 | 122.4° | 118.2° |
| C7 | C8 | C9 | 117.0° | 111.0° |
| C7 | C8 | C14 | 104.6° | 113.1° |
| C7 | C8 | H8 | 110.6° | 106.6° |
| C9 | C8 | C14 | 116.4° | 109.4° |
| C9 | C8 | H8 | 96.9° | 107.0° |
| C8 | C9 | O9 | 110.7° | 106.9° |
| C8 | C9 | C10 | 101.6° | 107.8° |
| C8 | C9 | C11 | 107.1° | 107.4° |
| C14 | C8 | H8 | 111.3° | 109.5° |
| C8 | C14 | C13 | 112.4° | 118.0° |
| C8 | C14 | C15 | 135.0° | 119.4° |
| C8 | C14 | H14 | 86.2° | 115.1° |
| O9 | C9 | C10 | 104.6° | 107.9° |
| O9 | C9 | C11 | 111.6° | 108.3° |
| C9 | O9 | HO9 | 110.6° | 106.9° |
| C10 | C9 | C11 | 120.8° | 118.0° |
| C9 | C10 | H10 | 100.4° | 105.2° |
| C9 | C11 | C12 | 109.6° | 109.7° |
| C9 | C11 | C18 | 118.0° | 112.4° |
| C9 | C11 | H11 | 102.4° | 110.1° |
| C12 | C11 | C18 | 106.0° | 107.4° |
| C12 | C11 | H11 | 115.1° | 108.9° |
| C11 | C12 | O12 | 111.8° | 109.0° |
| C11 | C12 | C13 | 115.7° | 114.8° |
| C11 | C12 | H12 | 102.1° | 107.5° |
| C18 | C11 | H11 | 106.1° | 108.3° |
| C11 | C18 | H181 | 118.0° | 109.5° |
| C11 | C18 | H182 | 109.2° | 109.5° |
| C11 | C18 | H183 | 109.2° | 109.5° |
| O12 | C12 | C13 | 105.1° | 109.9° |
| O12 | C12 | H12 | 113.3° | 107.3° |
| C12 | O12 | HO12 | 111.8° | 106.8° |
| C13 | C12 | H12 | 109.2° | 108.1° |
| C12 | C13 | C14 | 123.7° | 120.3° |
| C12 | C13 | C15 | 130.7° | 123.0° |
| C12 | C13 | OA1 | 111.9° | 113.8° |
| C14 | C13 | C15 | 56.2° | 60.2° |
| C14 | C13 | OA1 | 117.5° | 114.5° |
| C13 | C14 | C15 | 62.0° | 59.6° |
| C13 | C14 | H14 | 145.1° | 116.4° |
| C15 | C13 | OA1 | 106.2° | 114.8° |
| C13 | C15 | C14 | 61.8° | 60.2° |
| C13 | C15 | C16 | 123.4° | 116.5° |
| C13 | C15 | C17 | 120.0° | 118.8° |
| C13 | OA1 | CA1 | 123.5° | 120.1° |
| C15 | C14 | H14 | 125.1° | 117.1° |
| C14 | C15 | C16 | 110.5° | 116.8° |
| C14 | C15 | C17 | 120.4° | 120.0° |
| C16 | C15 | C17 | 111.4° | 114.2° |
| C15 | C16 | H161 | 123.5° | 109.5° |
| C15 | C16 | H162 | 107.3° | 109.5° |
| C15 | C16 | H163 | 107.3° | 109.5° |
| C15 | C17 | H171 | 120.0° | 109.4° |
| C15 | C17 | H172 | 108.4° | 109.5° |
| C15 | C17 | H173 | 108.4° | 109.5° |
| H161 | C16 | H162 | 107.2° | 109.4° |
| H161 | C16 | H163 | 107.2° | 109.5° |
| H162 | C16 | H163 | 102.4° | 109.4° |
| H171 | C17 | H172 | 108.5° | 109.4° |
| H171 | C17 | H173 | 108.5° | 109.5° |
| H172 | C17 | H173 | 101.6° | 109.6° |
| H181 | C18 | H182 | 109.1° | 109.4° |
| H181 | C18 | H183 | 109.1° | 109.5° |
| H182 | C18 | H183 | 100.9° | 109.4° |
| H191 | C19 | H192 | 106.5° | 109.4° |
| H191 | C19 | H193 | 106.6° | 109.4° |
| H192 | C19 | H193 | 102.9° | 109.5° |
| O20 | C20 | H201 | 110.2° | 109.4° |
| O20 | C20 | H202 | 110.2° | 109.5° |
| C20 | O20 | HO20 | 114.9° | 106.8° |
| H201 | C20 | H202 | 100.0° | 109.4° |
| OA1 | CA1 | OA2 | 120.0° | 120.0° |
| OA1 | CA1 | CA2 | 121.0° | 120.1° |
| OA2 | CA1 | CA2 | 119.1° | 120.0° |
| CA1 | CA2 | HA21 | 120.9° | 109.5° |
| CA1 | CA2 | HA22 | 108.1° | 109.4° |
| CA1 | CA2 | HA23 | 108.1° | 109.5° |
| HA21 | CA2 | HA22 | 108.1° | 109.4° |
| HA21 | CA2 | HA23 | 108.2° | 109.5° |
| HA22 | CA2 | HA23 | 101.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C10 | H1 | 180.0° | 178.8° |
| C1 | C2 | C3 | C19 | 179.1° | 179.0° |
| C1 | C2 | C3 | O3 | 175.0° | 171.1° |
| C1 | C2 | C3 | C4 | 3.4° | 9.0° |
| C2 | C1 | C10 | C4 | 19.8° | 12.3° |
| C2 | C1 | C10 | C9 | 143.3° | 144.5° |
| C2 | C1 | C10 | H10 | 102.7° | 98.6° |
| C1 | C2 | C19 | H191 | 180.0° | 180.0° |
| C1 | C2 | C19 | H192 | 54.8° | 60.0° |
| C1 | C2 | C19 | H193 | 54.7° | 60.1° |
| C10 | C1 | C2 | C3 | 11.0° | 2.1° |
| C10 | C1 | C2 | C19 | 169.9° | 178.9° |
| C1 | C10 | C4 | C3 | 19.6° | 16.9° |
| C1 | C10 | C4 | O4 | 93.8° | 97.9° |
| C1 | C10 | C4 | C5 | 137.6° | 140.7° |
| C1 | C10 | C4 | C9 | 124.9° | 134.1° |
| C1 | C10 | C4 | H10 | 120.9° | 110.4° |
| C1 | C10 | C9 | C8 | 159.5° | 176.6° |
| C1 | C10 | C9 | O9 | 85.3° | 68.3° |
| C1 | C10 | C9 | H10 | 120.5° | 116.5° |
| C1 | C10 | C9 | C11 | 41.4° | 54.8° |
| H1 | C1 | C2 | C3 | 169.0° | 179.1° |
| H1 | C1 | C2 | C19 | 10.1° | 0.1° |
| H1 | C1 | C10 | C4 | 160.2° | 168.9° |
| H1 | C1 | C10 | C9 | 36.8° | 36.7° |
| H1 | C1 | C10 | H10 | 77.3° | 80.2° |
| C2 | C3 | O3 | C4 | 170.6° | 179.8° |
| C2 | C3 | C4 | O4 | 106.9° | 100.4° |
| C2 | C3 | C4 | C5 | 132.1° | 139.5° |
| C2 | C3 | C4 | C10 | 15.2° | 15.7° |
| C3 | C2 | C19 | H191 | 1.0° | 1.1° |
| C3 | C2 | C19 | H192 | 124.2° | 118.8° |
| C3 | C2 | C19 | H193 | 126.3° | 121.1° |
| C19 | C2 | C3 | O3 | 4.2° | 9.9° |
| C19 | C2 | C3 | C4 | 175.8° | 169.9° |
| C2 | C19 | H191 | H192 | 125.3° | 120.0° |
| C2 | C19 | H191 | H193 | 125.3° | 120.0° |
| C2 | C19 | H192 | H193 | 112.1° | 120.1° |
| O3 | C3 | C4 | O4 | 64.7° | 79.4° |
| O3 | C3 | C4 | C5 | 56.3° | 40.6° |
| O3 | C3 | C4 | C10 | 173.2° | 164.4° |
| C3 | C4 | O4 | C5 | 120.7° | 123.4° |
| C3 | C4 | O4 | C10 | 111.6° | 111.9° |
| C3 | C4 | C5 | C10 | 111.8° | 118.1° |
| C3 | C4 | O4 | HO4 | 180.0° | 64.1° |
| C3 | C4 | C5 | C6 | 148.7° | 130.1° |
| C3 | C4 | C5 | H51 | 85.9° | 8.9° |
| C3 | C4 | C5 | H52 | 23.5° | 108.8° |
| C3 | C4 | C10 | C9 | 144.6° | 151.0° |
| C3 | C4 | C10 | H10 | 101.3° | 93.5° |
| O4 | C4 | C5 | C10 | 131.4° | 122.2° |
| O4 | C4 | C5 | C6 | 94.4° | 110.2° |
| O4 | C4 | C5 | H51 | 31.0° | 128.6° |
| O4 | C4 | C5 | H52 | 140.4° | 11.0° |
| O4 | C4 | C10 | C9 | 31.1° | 36.3° |
| O4 | C4 | C10 | H10 | 145.2° | 151.8° |
| C5 | C4 | O4 | HO4 | 59.3° | 59.3° |
| C4 | C5 | C6 | H51 | 125.3° | 121.1° |
| C4 | C5 | C6 | H52 | 125.2° | 121.0° |
| C4 | C5 | H51 | H52 | 114.8° | 117.2° |
| C4 | C5 | C6 | C7 | 22.4° | 41.8° |
| C4 | C5 | C6 | C20 | 161.3° | 137.5° |
| C5 | C4 | C10 | C9 | 97.5° | 85.2° |
| C5 | C4 | C10 | H10 | 16.6° | 30.3° |
| C10 | C4 | O4 | HO4 | 68.4° | 176.1° |
| C10 | C4 | C5 | C6 | 37.0° | 12.1° |
| C10 | C4 | C5 | H51 | 162.3° | 109.2° |
| C10 | C4 | C5 | H52 | 88.3° | 133.2° |
| C4 | C10 | C9 | C8 | 42.2° | 48.7° |
| C4 | C10 | C9 | O9 | 157.4° | 163.8° |
| C4 | C10 | C9 | H10 | 122.2° | 115.6° |
| C4 | C10 | C9 | C11 | 75.9° | 73.1° |
| C6 | C5 | H51 | H52 | 114.9° | 117.6° |
| C5 | C6 | C7 | C20 | 176.4° | 179.4° |
| C5 | C6 | C7 | C8 | 1.5° | 1.3° |
| C5 | C6 | C7 | H7 | 178.5° | 178.6° |
| C5 | C6 | C20 | O20 | 44.4° | 179.4° |
| C5 | C6 | C20 | H201 | 169.6° | 60.6° |
| C5 | C6 | C20 | H202 | 80.8° | 59.4° |
| H51 | C5 | C6 | C7 | 102.9° | 163.0° |
| H51 | C5 | C6 | C20 | 73.4° | 16.4° |
| H52 | C5 | C6 | C7 | 147.6° | 79.2° |
| H52 | C5 | C6 | C20 | 36.1° | 101.5° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 75.4° | 74.9° |
| C6 | C7 | C8 | C14 | 154.1° | 161.7° |
| C6 | C7 | C8 | H8 | 34.2° | 41.2° |
| C7 | C6 | C20 | O20 | 139.1° | 0.0° |
| C7 | C6 | C20 | H201 | 13.8° | 120.0° |
| C7 | C6 | C20 | H202 | 95.7° | 120.0° |
| C20 | C6 | C7 | C8 | 174.9° | 179.4° |
| C20 | C6 | C7 | H7 | 5.1° | 0.8° |
| C6 | C20 | O20 | H201 | 125.2° | 120.1° |
| C6 | C20 | O20 | H202 | 125.3° | 120.0° |
| C6 | C20 | H201 | H202 | 116.1° | 120.0° |
| C6 | C20 | O20 | HO20 | 180.0° | 180.0° |
| C7 | C8 | C9 | C14 | 124.7° | 125.6° |
| C7 | C8 | C9 | H8 | 117.4° | 115.9° |
| C7 | C8 | C14 | H8 | 119.5° | 118.7° |
| C7 | C8 | C9 | O9 | 60.6° | 74.1° |
| C7 | C8 | C9 | C10 | 50.0° | 41.7° |
| C7 | C8 | C9 | C11 | 177.6° | 169.9° |
| C7 | C8 | C14 | C13 | 150.4° | 155.7° |
| C7 | C8 | C14 | C15 | 137.5° | 135.3° |
| C7 | C8 | C14 | H14 | 0.9° | 12.1° |
| H7 | C7 | C8 | C9 | 104.5° | 105.0° |
| H7 | C7 | C8 | C14 | 25.9° | 18.4° |
| H7 | C7 | C8 | H8 | 145.9° | 138.9° |
| C9 | C8 | C14 | H8 | 109.7° | 117.0° |
| C8 | C9 | O9 | C10 | 108.7° | 115.8° |
| C8 | C9 | O9 | C11 | 119.1° | 115.5° |
| C8 | C9 | C10 | C11 | 118.1° | 121.8° |
| C8 | C9 | O9 | HO9 | 180.0° | 175.8° |
| C8 | C9 | C10 | H10 | 80.0° | 66.9° |
| C8 | C9 | C11 | C12 | 66.5° | 70.3° |
| C8 | C9 | C11 | C18 | 172.2° | 170.3° |
| C8 | C9 | C11 | H11 | 56.2° | 49.5° |
| C9 | C8 | C14 | C13 | 19.6° | 31.4° |
| C9 | C8 | C14 | C15 | 91.7° | 100.4° |
| C9 | C8 | C14 | H14 | 129.9° | 112.2° |
| C14 | C8 | C9 | O9 | 64.1° | 51.5° |
| C14 | C8 | C9 | C10 | 174.7° | 167.3° |
| C14 | C8 | C9 | C11 | 57.7° | 64.6° |
| C8 | C14 | C13 | C12 | 10.5° | 3.6° |
| C8 | C14 | C13 | C15 | 130.3° | 109.5° |
| C8 | C14 | C13 | H14 | 117.7° | 143.1° |
| C8 | C14 | C13 | OA1 | 138.0° | 144.9° |
| C8 | C14 | C15 | H14 | 126.0° | 146.8° |
| C8 | C14 | C15 | C16 | 23.4° | 146.3° |
| C8 | C14 | C15 | C17 | 155.5° | 1.0° |
| H8 | C8 | C9 | O9 | 177.9° | 170.1° |
| H8 | C8 | C9 | C10 | 67.3° | 74.1° |
| H8 | C8 | C9 | C11 | 60.2° | 54.0° |
| H8 | C8 | C14 | C13 | 90.1° | 85.6° |
| H8 | C8 | C14 | C15 | 18.0° | 16.6° |
| H8 | C8 | C14 | H14 | 120.4° | 130.9° |
| O9 | C9 | C10 | C11 | 126.7° | 123.0° |
| O9 | C9 | C10 | H10 | 35.2° | 48.2° |
| O9 | C9 | C11 | C12 | 54.7° | 44.9° |
| O9 | C9 | C11 | C18 | 66.6° | 74.5° |
| O9 | C9 | C11 | H11 | 177.4° | 164.6° |
| C10 | C9 | O9 | HO9 | 71.3° | 60.0° |
| C10 | C9 | C11 | C12 | 178.1° | 167.7° |
| C10 | C9 | C11 | C18 | 56.8° | 48.3° |
| C10 | C9 | C11 | H11 | 59.2° | 72.5° |
| C11 | C9 | O9 | HO9 | 60.9° | 68.8° |
| C11 | C9 | C10 | H10 | 161.9° | 171.3° |
| C9 | C11 | C12 | C18 | 128.3° | 122.4° |
| C9 | C11 | C12 | H11 | 114.7° | 120.5° |
| C9 | C11 | C18 | H11 | 114.0° | 121.9° |
| C9 | C11 | C12 | O12 | 159.1° | 164.5° |
| C9 | C11 | C12 | C13 | 38.9° | 40.8° |
| C9 | C11 | C12 | H12 | 79.5° | 79.6° |
| C9 | C11 | C18 | H181 | 180.0° | 178.2° |
| C9 | C11 | C18 | H182 | 54.7° | 58.1° |
| C9 | C11 | C18 | H183 | 54.7° | 61.8° |
| C12 | C11 | C18 | H11 | 122.9° | 117.4° |
| C11 | C12 | O12 | C13 | 126.2° | 126.6° |
| C11 | C12 | O12 | H12 | 114.7° | 116.1° |
| C11 | C12 | C13 | H12 | 114.4° | 120.0° |
| C11 | C12 | O12 | HO12 | 179.9° | 60.0° |
| C11 | C12 | C13 | C14 | 0.1° | 8.0° |
| C11 | C12 | C13 | C15 | 72.0° | 64.2° |
| C11 | C12 | C13 | OA1 | 150.1° | 149.5° |
| C12 | C11 | C18 | H181 | 56.9° | 57.5° |
| C12 | C11 | C18 | H182 | 68.4° | 62.6° |
| C12 | C11 | C18 | H183 | 177.9° | 177.5° |
| C18 | C11 | C12 | O12 | 72.6° | 73.1° |
| C18 | C11 | C12 | C13 | 167.2° | 163.2° |
| C18 | C11 | C12 | H12 | 48.8° | 42.8° |
| C11 | C18 | H181 | H182 | 125.4° | 120.1° |
| C11 | C18 | H181 | H183 | 125.3° | 120.1° |
| C11 | C18 | H182 | H183 | 114.9° | 120.0° |
| H11 | C11 | C12 | O12 | 44.4° | 43.9° |
| H11 | C11 | C12 | C13 | 75.8° | 79.8° |
| H11 | C11 | C12 | H12 | 165.8° | 159.9° |
| H11 | C11 | C18 | H181 | 66.0° | 60.0° |
| H11 | C11 | C18 | H182 | 168.7° | 180.0° |
| H11 | C11 | C18 | H183 | 59.2° | 60.1° |
| O12 | C12 | C13 | H12 | 121.8° | 116.8° |
| O12 | C12 | C13 | C14 | 123.8° | 131.2° |
| O12 | C12 | C13 | C15 | 51.8° | 59.1° |
| O12 | C12 | C13 | OA1 | 86.2° | 87.2° |
| C13 | C12 | O12 | HO12 | 53.8° | 173.5° |
| C12 | C13 | C14 | C15 | 119.8° | 113.1° |
| C12 | C13 | C14 | OA1 | 148.4° | 141.3° |
| C12 | C13 | C15 | OA1 | 139.6° | 146.0° |
| C12 | C13 | C14 | H14 | 128.2° | 139.5° |
| C12 | C13 | C15 | C16 | 10.7° | 144.1° |
| C12 | C13 | C15 | C17 | 141.6° | 1.3° |
| C12 | C13 | OA1 | CA1 | 53.1° | 34.5° |
| H12 | C12 | O12 | HO12 | 65.3° | 56.2° |
| H12 | C12 | C13 | C14 | 114.4° | 112.0° |
| H12 | C12 | C13 | C15 | 173.6° | 175.8° |
| H12 | C12 | C13 | OA1 | 35.6° | 29.6° |
| C14 | C13 | C15 | OA1 | 112.6° | 105.3° |
| C13 | C14 | C15 | H14 | 139.6° | 106.1° |
| C14 | C13 | C15 | C16 | 97.0° | 107.2° |
| C14 | C13 | C15 | C17 | 110.7° | 110.0° |
| C14 | C13 | OA1 | CA1 | 98.9° | 178.3° |
| C13 | C15 | C16 | C17 | 154.4° | 144.5° |
| C13 | C15 | C16 | H161 | 180.0° | 179.6° |
| C13 | C15 | C16 | H162 | 54.7° | 59.7° |
| C13 | C15 | C16 | H163 | 54.7° | 60.3° |
| C13 | C15 | C17 | H171 | 180.0° | 178.4° |
| C13 | C15 | C17 | H172 | 54.8° | 58.4° |
| C13 | C15 | C17 | H173 | 54.8° | 61.7° |
| C15 | C13 | OA1 | CA1 | 158.8° | 114.7° |
| OA1 | C13 | C14 | H14 | 20.3° | 1.8° |
| OA1 | C13 | C15 | C16 | 150.3° | 1.9° |
| OA1 | C13 | C15 | C17 | 2.0° | 144.7° |
| C13 | OA1 | CA1 | OA2 | 17.7° | 0.1° |
| C13 | OA1 | CA1 | CA2 | 161.2° | 180.0° |
| C14 | C15 | C16 | C17 | 136.6° | 147.2° |
| C14 | C15 | C16 | H161 | 110.9° | 111.4° |
| C14 | C15 | C16 | H162 | 123.7° | 8.6° |
| C14 | C15 | C16 | H163 | 14.3° | 128.6° |
| C14 | C15 | C17 | H171 | 107.1° | 111.4° |
| C14 | C15 | C17 | H172 | 18.1° | 128.7° |
| C14 | C15 | C17 | H173 | 127.6° | 8.6° |
| H14 | C14 | C15 | C16 | 102.6° | 0.6° |
| H14 | C14 | C15 | C17 | 29.5° | 145.8° |
| C15 | C16 | H161 | H162 | 125.3° | 120.0° |
| C15 | C16 | H161 | H163 | 125.3° | 120.1° |
| C15 | C16 | H162 | H163 | 112.8° | 120.1° |
| C16 | C15 | C17 | H171 | 24.6° | 34.7° |
| C16 | C15 | C17 | H172 | 149.9° | 85.2° |
| C16 | C15 | C17 | H173 | 100.6° | 154.7° |
| C17 | C15 | C16 | H161 | 25.6° | 35.9° |
| C17 | C15 | C16 | H162 | 99.7° | 155.8° |
| C17 | C15 | C16 | H163 | 150.9° | 84.2° |
| C15 | C17 | H171 | H172 | 125.2° | 120.0° |
| C15 | C17 | H171 | H173 | 125.2° | 120.0° |
| C15 | C17 | H172 | H173 | 114.0° | 120.0° |
| H161 | C16 | H162 | H163 | 112.7° | 120.0° |
| H171 | C17 | H172 | H173 | 114.2° | 120.1° |
| H181 | C18 | H182 | H183 | 114.8° | 119.9° |
| H191 | C19 | H192 | H193 | 111.9° | 119.9° |
| O20 | C20 | H201 | H202 | 116.1° | 120.0° |
| H201 | C20 | O20 | HO20 | 54.8° | 60.0° |
| H202 | C20 | O20 | HO20 | 54.7° | 60.0° |
| OA1 | CA1 | OA2 | CA2 | 178.9° | 179.9° |
| OA1 | CA1 | CA2 | HA21 | 179.9° | 180.0° |
| OA1 | CA1 | CA2 | HA22 | 54.7° | 60.1° |
| OA1 | CA1 | CA2 | HA23 | 54.7° | 59.9° |
| OA2 | CA1 | CA2 | HA21 | 1.0° | 0.1° |
| OA2 | CA1 | CA2 | HA22 | 124.2° | 120.0° |
| OA2 | CA1 | CA2 | HA23 | 126.3° | 120.0° |
| CA1 | CA2 | HA21 | HA22 | 125.2° | 119.9° |
| CA1 | CA2 | HA21 | HA23 | 125.3° | 120.1° |
| CA1 | CA2 | HA22 | HA23 | 113.7° | 120.0° |
| HA21 | CA2 | HA22 | HA23 | 113.8° | 120.1° |
