AUR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | H11A | sing | 1.09Å | 1.12Å | |
| C1 | H12A | sing | 1.09Å | 1.11Å | |
| C1 | H13A | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.52Å | 1.53Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.55Å | 1.54Å | |
| C3 | O3 | sing | 1.43Å | 1.45Å | |
| C3 | H3 | sing | 1.10Å | 1.11Å | |
| C4 | C5 | sing | 1.56Å | 1.52Å | |
| C4 | C20 | sing | 1.54Å | 1.51Å | |
| C4 | O4 | sing | 1.41Å | 1.49Å | |
| C5 | C6 | sing | 1.55Å | 1.54Å | |
| C5 | O5 | sing | 1.45Å | 1.36Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| C6 | C7 | sing | 1.55Å | 1.53Å | |
| C6 | C21 | sing | 1.53Å | 1.47Å | |
| C6 | O3 | sing | 1.44Å | 1.51Å | |
| C7 | C8 | sing | 1.53Å | 1.47Å | |
| C7 | O7 | sing | 1.43Å | 1.41Å | |
| C7 | H7 | sing | 1.09Å | 1.11Å | |
| C8 | O4 | sing | 1.41Å | 1.48Å | |
| C8 | C9 | sing | 1.52Å | 1.50Å | |
| C8 | H8 | sing | 1.09Å | 1.12Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.12Å | |
| C20 | H203 | sing | 1.09Å | 1.11Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| C21 | H213 | sing | 1.09Å | 1.11Å | |
| C24 | C25 | sing | 1.51Å | 1.44Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C24 | H243 | sing | 1.09Å | 1.11Å | |
| C25 | O5 | sing | 1.34Å | 1.39Å | |
| C25 | O25 | doub | 1.21Å | 1.21Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C9 | C10 | doub | 1.33Å | 1.27Å | |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C10 | C11 | sing | 1.46Å | 1.46Å | |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | C12 | doub | 1.36Å | 1.31Å | |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | C13 | sing | 1.41Å | 1.48Å | |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | doub | 1.36Å | 1.33Å | |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.42Å | 1.43Å | |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | doub | 1.38Å | 1.36Å | Aromatic |
| C15 | O15 | sing | 1.35Å | 1.37Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.41Å | Aromatic |
| C16 | C22 | sing | 1.51Å | 1.53Å | |
| C17 | C18 | doub | 1.39Å | 1.35Å | Aromatic |
| C17 | O17 | sing | 1.36Å | 1.37Å | |
| C18 | C19 | sing | 1.40Å | 1.44Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | O15 | sing | 1.35Å | 1.32Å | Aromatic |
| C19 | O19 | doub | 1.22Å | 1.24Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C22 | H223 | sing | 1.09Å | 1.12Å | |
| C23 | O17 | sing | 1.43Å | 1.45Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C23 | H233 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H11A | 112.3° | 109.5° |
| C2 | C1 | H12A | 111.2° | 109.4° |
| C2 | C1 | H13A | 111.2° | 109.5° |
| C1 | C2 | C3 | 112.3° | 109.4° |
| C1 | C2 | H21 | 111.2° | 109.4° |
| C1 | C2 | H22 | 111.1° | 109.5° |
| H11A | C1 | H12A | 111.1° | 109.5° |
| H11A | C1 | H13A | 111.1° | 109.5° |
| H12A | C1 | H13A | 99.3° | 109.5° |
| C3 | C2 | H21 | 111.2° | 109.5° |
| C3 | C2 | H22 | 111.2° | 109.5° |
| C2 | C3 | C4 | 114.4° | 111.8° |
| C2 | C3 | O3 | 114.2° | 112.3° |
| C2 | C3 | H3 | 101.2° | 109.5° |
| H21 | C2 | H22 | 99.2° | 109.5° |
| C4 | C3 | O3 | 105.7° | 105.2° |
| C4 | C3 | H3 | 110.5° | 109.1° |
| C3 | C4 | C5 | 99.0° | 99.2° |
| C3 | C4 | C20 | 106.9° | 112.1° |
| C3 | C4 | O4 | 119.7° | 111.3° |
| O3 | C3 | H3 | 110.7° | 108.9° |
| C3 | O3 | C6 | 105.3° | 109.3° |
| C5 | C4 | C20 | 111.0° | 112.0° |
| C5 | C4 | O4 | 108.0° | 108.4° |
| C4 | C5 | C6 | 95.9° | 98.6° |
| C4 | C5 | O5 | 109.3° | 111.4° |
| C4 | C5 | H5 | 119.9° | 111.3° |
| C20 | C4 | O4 | 111.5° | 112.9° |
| C4 | C20 | H201 | 106.9° | 109.5° |
| C4 | C20 | H202 | 113.2° | 109.5° |
| C4 | C20 | H203 | 113.2° | 109.5° |
| C4 | O4 | C8 | 117.9° | 116.2° |
| C6 | C5 | O5 | 114.9° | 111.6° |
| C6 | C5 | H5 | 114.8° | 111.7° |
| C5 | C6 | C7 | 115.0° | 103.8° |
| C5 | C6 | C21 | 113.7° | 113.5° |
| C5 | C6 | O3 | 101.4° | 106.0° |
| O5 | C5 | H5 | 102.7° | 111.6° |
| C5 | O5 | C25 | 114.8° | 120.0° |
| C7 | C6 | C21 | 106.5° | 113.4° |
| C7 | C6 | O3 | 109.9° | 105.8° |
| C6 | C7 | C8 | 116.0° | 107.8° |
| C6 | C7 | O7 | 114.6° | 109.7° |
| C6 | C7 | H7 | 104.5° | 109.8° |
| C21 | C6 | O3 | 110.3° | 113.6° |
| C6 | C21 | H211 | 113.6° | 109.5° |
| C6 | C21 | H212 | 110.6° | 109.5° |
| C6 | C21 | H213 | 110.6° | 109.5° |
| C8 | C7 | O7 | 118.4° | 109.9° |
| C8 | C7 | H7 | 98.4° | 110.0° |
| C7 | C8 | O4 | 111.8° | 114.2° |
| C7 | C8 | C9 | 110.1° | 108.0° |
| C7 | C8 | H8 | 109.1° | 108.3° |
| O7 | C7 | H7 | 100.7° | 109.7° |
| C7 | O7 | HO7 | 114.6° | 106.9° |
| O4 | C8 | C9 | 113.9° | 108.6° |
| O4 | C8 | H8 | 104.8° | 110.6° |
| C9 | C8 | H8 | 106.8° | 106.7° |
| C8 | C9 | C10 | 130.9° | 120.0° |
| C8 | C9 | H9 | 125.0° | 119.9° |
| H201 | C20 | H202 | 113.1° | 109.4° |
| H201 | C20 | H203 | 113.2° | 109.5° |
| H202 | C20 | H203 | 97.3° | 109.4° |
| H211 | C21 | H212 | 110.7° | 109.5° |
| H211 | C21 | H213 | 110.7° | 109.4° |
| H212 | C21 | H213 | 99.6° | 109.4° |
| C25 | C24 | H241 | 111.4° | 109.4° |
| C25 | C24 | H242 | 111.5° | 109.5° |
| C25 | C24 | H243 | 111.5° | 109.5° |
| C24 | C25 | O5 | 111.4° | 120.0° |
| C24 | C25 | O25 | 113.3° | 120.1° |
| H241 | C24 | H242 | 111.5° | 109.4° |
| H241 | C24 | H243 | 111.5° | 109.5° |
| H242 | C24 | H243 | 98.9° | 109.4° |
| O5 | C25 | O25 | 119.1° | 120.0° |
| C10 | C9 | H9 | 104.1° | 120.0° |
| C9 | C10 | C11 | 121.0° | 120.0° |
| C9 | C10 | H10 | 112.3° | 120.0° |
| C11 | C10 | H10 | 126.7° | 120.0° |
| C10 | C11 | C12 | 120.3° | 120.1° |
| C10 | C11 | H11 | 125.5° | 120.0° |
| C12 | C11 | H11 | 114.2° | 119.9° |
| C11 | C12 | C13 | 121.5° | 120.1° |
| C11 | C12 | H12 | 113.1° | 119.9° |
| C13 | C12 | H12 | 125.4° | 120.0° |
| C12 | C13 | C14 | 122.3° | 120.1° |
| C12 | C13 | H13 | 124.3° | 120.0° |
| C14 | C13 | H13 | 113.4° | 119.9° |
| C13 | C14 | C15 | 126.5° | 120.0° |
| C13 | C14 | H14 | 112.7° | 119.9° |
| C15 | C14 | H14 | 120.8° | 120.0° |
| C14 | C15 | C16 | 127.6° | 119.6° |
| C14 | C15 | O15 | 112.6° | 119.7° |
| C16 | C15 | O15 | 119.8° | 120.7° |
| C15 | C16 | C17 | 117.8° | 119.5° |
| C15 | C16 | C22 | 120.3° | 120.3° |
| C15 | O15 | C19 | 122.3° | 121.2° |
| C17 | C16 | C22 | 121.9° | 120.3° |
| C16 | C17 | C18 | 123.8° | 118.9° |
| C16 | C17 | O17 | 113.9° | 120.6° |
| C16 | C22 | H221 | 120.3° | 109.5° |
| C16 | C22 | H222 | 108.4° | 109.4° |
| C16 | C22 | H223 | 108.3° | 109.5° |
| C18 | C17 | O17 | 122.3° | 120.5° |
| C17 | C18 | C19 | 115.2° | 119.3° |
| C17 | C18 | H18 | 119.3° | 120.4° |
| C17 | O17 | C23 | 116.5° | 106.8° |
| C19 | C18 | H18 | 125.5° | 120.3° |
| C18 | C19 | O15 | 121.0° | 120.5° |
| C18 | C19 | O19 | 123.1° | 119.8° |
| O15 | C19 | O19 | 115.9° | 119.8° |
| H221 | C22 | H222 | 108.3° | 109.5° |
| H221 | C22 | H223 | 108.3° | 109.5° |
| H222 | C22 | H223 | 101.7° | 109.4° |
| O17 | C23 | H231 | 116.5° | 109.5° |
| O17 | C23 | H232 | 109.7° | 109.5° |
| O17 | C23 | H233 | 109.7° | 109.4° |
| H231 | C23 | H232 | 109.6° | 109.5° |
| H231 | C23 | H233 | 109.7° | 109.5° |
| H232 | C23 | H233 | 100.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H11A | H12A | 125.2° | 120.0° |
| C2 | C1 | H11A | H13A | 125.2° | 120.0° |
| C2 | C1 | H12A | H13A | 117.1° | 120.0° |
| C1 | C2 | C3 | H21 | 125.3° | 119.9° |
| C1 | C2 | C3 | H22 | 125.2° | 120.0° |
| C1 | C2 | H21 | H22 | 117.0° | 120.1° |
| C1 | C2 | C3 | C4 | 154.0° | 179.8° |
| C1 | C2 | C3 | O3 | 83.9° | 61.8° |
| C1 | C2 | C3 | H3 | 35.2° | 59.3° |
| H11A | C1 | H12A | H13A | 117.1° | 120.1° |
| H11A | C1 | C2 | C3 | 180.0° | 60.0° |
| H11A | C1 | C2 | H21 | 54.7° | 180.0° |
| H11A | C1 | C2 | H22 | 54.7° | 60.0° |
| H12A | C1 | C2 | C3 | 54.8° | 180.0° |
| H12A | C1 | C2 | H21 | 70.5° | 60.0° |
| H12A | C1 | C2 | H22 | 179.9° | 60.0° |
| H13A | C1 | C2 | C3 | 54.8° | 60.0° |
| H13A | C1 | C2 | H21 | 179.9° | 59.9° |
| H13A | C1 | C2 | H22 | 70.5° | 180.0° |
| C3 | C2 | H21 | H22 | 117.1° | 120.0° |
| C2 | C3 | C4 | O3 | 126.6° | 122.1° |
| C2 | C3 | C4 | H3 | 113.5° | 121.2° |
| C2 | C3 | O3 | H3 | 113.5° | 121.4° |
| C2 | C3 | C4 | C5 | 163.4° | 162.0° |
| C2 | C3 | C4 | C20 | 81.3° | 79.6° |
| C2 | C3 | C4 | O4 | 46.7° | 47.9° |
| C2 | C3 | O3 | C6 | 130.7° | 139.8° |
| H21 | C2 | C3 | C4 | 80.7° | 59.9° |
| H21 | C2 | C3 | O3 | 41.4° | 58.1° |
| H21 | C2 | C3 | H3 | 160.4° | 179.2° |
| H22 | C2 | C3 | C4 | 28.8° | 60.2° |
| H22 | C2 | C3 | O3 | 150.9° | 178.1° |
| H22 | C2 | C3 | H3 | 90.1° | 60.7° |
| C4 | C3 | O3 | H3 | 119.7° | 116.8° |
| C3 | C4 | C5 | C20 | 112.1° | 118.5° |
| C3 | C4 | C5 | O4 | 125.4° | 116.2° |
| C3 | C4 | C20 | O4 | 132.6° | 126.6° |
| C3 | C4 | C5 | C6 | 53.1° | 44.4° |
| C3 | C4 | C5 | O5 | 65.9° | 73.0° |
| C3 | C4 | C5 | H5 | 176.2° | 161.8° |
| C4 | C3 | O3 | C6 | 3.9° | 18.0° |
| C3 | C4 | O4 | C8 | 48.6° | 50.0° |
| C3 | C4 | C20 | H201 | 180.0° | 67.3° |
| C3 | C4 | C20 | H202 | 54.8° | 52.6° |
| C3 | C4 | C20 | H203 | 54.7° | 172.6° |
| O3 | C3 | C4 | C5 | 36.8° | 39.9° |
| O3 | C3 | C4 | C20 | 152.1° | 158.3° |
| O3 | C3 | C4 | O4 | 80.0° | 74.2° |
| C3 | O3 | C6 | C5 | 30.2° | 11.8° |
| C3 | O3 | C6 | C7 | 91.9° | 98.0° |
| C3 | O3 | C6 | C21 | 150.9° | 137.0° |
| H3 | C3 | C4 | C5 | 83.1° | 76.8° |
| H3 | C3 | C4 | C20 | 32.2° | 41.6° |
| H3 | C3 | C4 | O4 | 160.2° | 169.1° |
| H3 | C3 | O3 | C6 | 115.8° | 98.8° |
| C5 | C4 | C20 | O4 | 120.4° | 122.8° |
| C4 | C5 | C6 | O5 | 114.4° | 117.2° |
| C4 | C5 | C6 | H5 | 126.8° | 117.1° |
| C4 | C5 | O5 | H5 | 128.3° | 125.0° |
| C4 | C5 | C6 | C7 | 66.5° | 75.3° |
| C4 | C5 | C6 | C21 | 170.3° | 161.1° |
| C4 | C5 | C6 | O3 | 51.9° | 35.8° |
| C5 | C4 | O4 | C8 | 63.4° | 58.2° |
| C5 | C4 | C20 | H201 | 73.0° | 177.8° |
| C5 | C4 | C20 | H202 | 161.8° | 57.9° |
| C5 | C4 | C20 | H203 | 52.3° | 62.1° |
| C4 | C5 | O5 | C25 | 141.0° | 150.0° |
| C20 | C4 | C5 | C6 | 165.2° | 162.9° |
| C20 | C4 | C5 | O5 | 46.3° | 45.5° |
| C20 | C4 | C5 | H5 | 71.7° | 79.7° |
| C20 | C4 | O4 | C8 | 174.4° | 177.1° |
| C4 | C20 | H201 | H202 | 125.2° | 120.0° |
| C4 | C20 | H201 | H203 | 125.3° | 120.1° |
| C4 | C20 | H202 | H203 | 119.1° | 120.0° |
| O4 | C4 | C5 | C6 | 72.3° | 71.8° |
| O4 | C4 | C5 | O5 | 168.8° | 170.8° |
| O4 | C4 | C5 | H5 | 50.8° | 45.6° |
| C4 | O4 | C8 | C7 | 33.7° | 44.7° |
| C4 | O4 | C8 | C9 | 159.3° | 165.3° |
| C4 | O4 | C8 | H8 | 84.4° | 77.9° |
| O4 | C4 | C20 | H201 | 47.4° | 59.4° |
| O4 | C4 | C20 | H202 | 77.8° | 179.3° |
| O4 | C4 | C20 | H203 | 172.7° | 60.7° |
| C6 | C5 | O5 | H5 | 125.3° | 125.8° |
| C5 | C6 | C7 | C21 | 126.9° | 123.6° |
| C5 | C6 | C7 | O3 | 113.6° | 111.3° |
| C5 | C6 | C21 | O3 | 113.1° | 121.1° |
| C5 | C6 | C7 | C8 | 45.7° | 64.9° |
| C5 | C6 | C7 | O7 | 170.6° | 175.5° |
| C5 | C6 | C7 | H7 | 61.4° | 54.9° |
| C5 | C6 | C21 | H211 | 180.0° | 177.5° |
| C5 | C6 | C21 | H212 | 54.7° | 57.4° |
| C5 | C6 | C21 | H213 | 54.7° | 62.5° |
| C6 | C5 | O5 | C25 | 112.6° | 100.9° |
| O5 | C5 | C6 | C7 | 179.0° | 167.5° |
| O5 | C5 | C6 | C21 | 55.9° | 43.9° |
| O5 | C5 | C6 | O3 | 62.5° | 81.4° |
| C5 | O5 | C25 | C24 | 151.4° | 180.0° |
| C5 | O5 | C25 | O25 | 16.7° | 0.2° |
| H5 | C5 | C6 | C7 | 60.3° | 41.8° |
| H5 | C5 | C6 | C21 | 62.8° | 81.8° |
| H5 | C5 | C6 | O3 | 178.8° | 152.9° |
| H5 | C5 | O5 | C25 | 12.7° | 24.9° |
| C7 | C6 | C21 | O3 | 119.2° | 120.8° |
| C6 | C7 | C8 | O7 | 142.3° | 119.5° |
| C6 | C7 | C8 | H7 | 110.7° | 119.6° |
| C6 | C7 | O7 | H7 | 111.5° | 120.7° |
| C6 | C7 | C8 | O4 | 23.9° | 47.2° |
| C6 | C7 | C8 | C9 | 151.5° | 168.1° |
| C6 | C7 | C8 | H8 | 91.6° | 76.6° |
| C7 | C6 | C21 | H211 | 52.4° | 59.4° |
| C7 | C6 | C21 | H212 | 72.9° | 60.6° |
| C7 | C6 | C21 | H213 | 177.6° | 179.4° |
| C6 | C7 | O7 | HO7 | 180.0° | 180.0° |
| C21 | C6 | C7 | C8 | 172.6° | 171.5° |
| C21 | C6 | C7 | O7 | 43.7° | 51.9° |
| C21 | C6 | C7 | H7 | 65.5° | 68.7° |
| C6 | C21 | H211 | H212 | 125.2° | 120.0° |
| C6 | C21 | H211 | H213 | 125.2° | 120.0° |
| C6 | C21 | H212 | H213 | 116.5° | 120.0° |
| O3 | C6 | C7 | C8 | 67.9° | 46.4° |
| O3 | C6 | C7 | O7 | 75.8° | 73.2° |
| O3 | C6 | C7 | H7 | 175.0° | 166.2° |
| O3 | C6 | C21 | H211 | 66.9° | 61.4° |
| O3 | C6 | C21 | H212 | 167.8° | 178.6° |
| O3 | C6 | C21 | H213 | 58.4° | 58.6° |
| C8 | C7 | O7 | H7 | 105.7° | 121.0° |
| C7 | C8 | O4 | C9 | 125.6° | 120.6° |
| C7 | C8 | O4 | H8 | 118.0° | 122.5° |
| C7 | C8 | C9 | H8 | 118.3° | 116.3° |
| C8 | C7 | O7 | HO7 | 37.2° | 61.7° |
| C7 | C8 | C9 | C10 | 108.3° | 120.0° |
| C7 | C8 | C9 | H9 | 71.7° | 60.1° |
| O7 | C7 | C8 | O4 | 166.1° | 166.7° |
| O7 | C7 | C8 | C9 | 66.2° | 72.4° |
| O7 | C7 | C8 | H8 | 50.6° | 42.9° |
| H7 | C7 | C8 | O4 | 86.8° | 72.5° |
| H7 | C7 | C8 | C9 | 40.9° | 48.5° |
| H7 | C7 | C8 | H8 | 157.7° | 163.7° |
| H7 | C7 | O7 | HO7 | 68.5° | 59.3° |
| O4 | C8 | C9 | H8 | 115.2° | 119.3° |
| O4 | C8 | C9 | C10 | 125.2° | 115.6° |
| O4 | C8 | C9 | H9 | 54.8° | 64.4° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 174.8° | 180.0° |
| C8 | C9 | C10 | H10 | 5.1° | 0.0° |
| H8 | C8 | C9 | C10 | 10.0° | 3.7° |
| H8 | C8 | C9 | H9 | 170.0° | 176.4° |
| H201 | C20 | H202 | H203 | 119.1° | 120.0° |
| H211 | C21 | H212 | H213 | 116.6° | 119.9° |
| C25 | C24 | H241 | H242 | 125.2° | 120.0° |
| C25 | C24 | H241 | H243 | 125.3° | 120.0° |
| C25 | C24 | H242 | H243 | 117.4° | 120.1° |
| C24 | C25 | O5 | O25 | 134.7° | 179.9° |
| H241 | C24 | H242 | H243 | 117.4° | 120.0° |
| H241 | C24 | C25 | O5 | 180.0° | 179.9° |
| H241 | C24 | C25 | O25 | 42.6° | 0.1° |
| H242 | C24 | C25 | O5 | 54.8° | 60.0° |
| H242 | C24 | C25 | O25 | 167.8° | 119.9° |
| H243 | C24 | C25 | O5 | 54.7° | 60.0° |
| H243 | C24 | C25 | O25 | 82.7° | 120.1° |
| C9 | C10 | C11 | H10 | 179.9° | 180.0° |
| C9 | C10 | C11 | C12 | 174.7° | 180.0° |
| C9 | C10 | C11 | H11 | 5.3° | 0.1° |
| H9 | C9 | C10 | C11 | 5.1° | 0.1° |
| H9 | C9 | C10 | H10 | 174.9° | 179.9° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 173.6° | 180.0° |
| C10 | C11 | C12 | H12 | 6.4° | 0.1° |
| H10 | C10 | C11 | C12 | 5.3° | 0.1° |
| H10 | C10 | C11 | H11 | 174.8° | 179.9° |
| C11 | C12 | C13 | H12 | 179.9° | 179.9° |
| C11 | C12 | C13 | C14 | 177.2° | 180.0° |
| C11 | C12 | C13 | H13 | 2.8° | 0.0° |
| H11 | C11 | C12 | C13 | 6.4° | 0.1° |
| H11 | C11 | C12 | H12 | 173.5° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 176.3° | 180.0° |
| C12 | C13 | C14 | H14 | 3.7° | 0.1° |
| H12 | C12 | C13 | C14 | 2.9° | 0.1° |
| H12 | C12 | C13 | H13 | 177.1° | 179.9° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 179.6° | 180.0° |
| C13 | C14 | C15 | O15 | 1.1° | 0.2° |
| H13 | C13 | C14 | C15 | 3.6° | 0.0° |
| H13 | C13 | C14 | H14 | 176.4° | 179.9° |
| C14 | C15 | C16 | O15 | 179.2° | 179.8° |
| C14 | C15 | C16 | C17 | 179.9° | 180.0° |
| C14 | C15 | C16 | C22 | 0.9° | 0.0° |
| C14 | C15 | O15 | C19 | 179.1° | 179.7° |
| H14 | C14 | C15 | C16 | 0.4° | 0.0° |
| H14 | C14 | C15 | O15 | 178.9° | 179.8° |
| C15 | C16 | C17 | C22 | 179.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.1° |
| C15 | C16 | C17 | O17 | 179.7° | 180.0° |
| C16 | C15 | O15 | C19 | 1.6° | 0.5° |
| C15 | C16 | C22 | H221 | 180.0° | 180.0° |
| C15 | C16 | C22 | H222 | 54.8° | 60.0° |
| C15 | C16 | C22 | H223 | 54.8° | 60.0° |
| O15 | C15 | C16 | C17 | 0.7° | 0.2° |
| O15 | C15 | C16 | C22 | 178.3° | 179.7° |
| C15 | O15 | C19 | C18 | 1.8° | 0.5° |
| C15 | O15 | C19 | O19 | 179.6° | 179.8° |
| C16 | C17 | C18 | O17 | 179.8° | 179.9° |
| C16 | C17 | C18 | C19 | 0.2° | 0.1° |
| C16 | C17 | C18 | H18 | 179.8° | 180.0° |
| C17 | C16 | C22 | H221 | 1.0° | 0.0° |
| C17 | C16 | C22 | H222 | 124.3° | 120.0° |
| C17 | C16 | C22 | H223 | 126.2° | 120.0° |
| C16 | C17 | O17 | C23 | 177.2° | 180.0° |
| C22 | C16 | C17 | C18 | 179.0° | 180.0° |
| C22 | C16 | C17 | O17 | 1.2° | 0.1° |
| C16 | C22 | H221 | H222 | 125.3° | 120.0° |
| C16 | C22 | H221 | H223 | 125.2° | 120.1° |
| C16 | C22 | H222 | H223 | 114.0° | 120.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | O15 | 1.1° | 0.2° |
| C17 | C18 | C19 | O19 | 179.6° | 179.9° |
| C18 | C17 | O17 | C23 | 2.6° | 0.1° |
| O17 | C17 | C18 | C19 | 179.6° | 180.0° |
| O17 | C17 | C18 | H18 | 0.4° | 0.1° |
| C17 | O17 | C23 | H231 | 180.0° | 180.0° |
| C17 | O17 | C23 | H232 | 54.8° | 60.0° |
| C17 | O17 | C23 | H233 | 54.7° | 60.0° |
| C18 | C19 | O15 | O19 | 178.6° | 179.7° |
| H18 | C18 | C19 | O15 | 178.9° | 179.7° |
| H18 | C18 | C19 | O19 | 0.5° | 0.0° |
| H221 | C22 | H222 | H223 | 113.9° | 120.0° |
| O17 | C23 | H231 | H232 | 125.2° | 120.0° |
| O17 | C23 | H231 | H233 | 125.3° | 120.0° |
| O17 | C23 | H232 | H233 | 115.5° | 119.9° |
| H231 | C23 | H232 | H233 | 115.5° | 120.0° |
