AS6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | N1 | sing | 1.46Å | 1.47Å | |
| N1 | C4 | sing | 1.39Å | 1.42Å | |
| N1 | C19 | sing | 1.40Å | 1.41Å | |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | N5 | sing | 1.33Å | 1.35Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.36Å | Aromatic |
| C6 | N2 | doub | 1.33Å | 1.35Å | Aromatic |
| N2 | C7 | sing | 1.32Å | 1.33Å | Aromatic |
| C7 | N3 | sing | 1.39Å | 1.41Å | |
| C7 | N5 | doub | 1.32Å | 1.34Å | Aromatic |
| N3 | C8 | sing | 1.40Å | 1.41Å | |
| C8 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | N4 | sing | 1.40Å | 1.40Å | |
| C11 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | S1 | sing | 1.76Å | 1.79Å | |
| S1 | O1 | doub | 1.42Å | 1.46Å | |
| S1 | O2 | doub | 1.42Å | 1.47Å | |
| S1 | C14 | sing | 1.81Å | 1.77Å | |
| N4 | C15 | sing | 1.47Å | 1.44Å | |
| N4 | C18 | sing | 1.47Å | 1.46Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C16 | O3 | sing | 1.43Å | 1.43Å | |
| O3 | C17 | sing | 1.43Å | 1.43Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C19 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.51Å | 1.50Å | |
| C21 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | O4 | sing | 1.43Å | 1.42Å | |
| C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.51Å | 1.49Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H13C | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C3 | H33C | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| O4 | H4 | sing | 0.97Å | 0.95Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 110.7° | 109.5° |
| C1 | C2 | N1 | 113.8° | 109.5° |
| C2 | C1 | H11C | 109.5° | 109.5° |
| C2 | C1 | H12C | 109.5° | 109.5° |
| C2 | C1 | H13C | 109.4° | 109.5° |
| C1 | C2 | H2 | 106.9° | 109.5° |
| C3 | C2 | N1 | 113.2° | 109.5° |
| C3 | C2 | H2 | 107.6° | 109.5° |
| C2 | C3 | H31C | 109.5° | 109.5° |
| C2 | C3 | H32C | 109.5° | 109.5° |
| C2 | C3 | H33C | 109.4° | 109.5° |
| C2 | N1 | C4 | 115.9° | 120.0° |
| C2 | N1 | C19 | 117.3° | 120.0° |
| N1 | C2 | H2 | 104.1° | 109.5° |
| C4 | N1 | C19 | 124.3° | 120.0° |
| N1 | C4 | C5 | 117.6° | 120.4° |
| N1 | C4 | N5 | 119.9° | 120.5° |
| N1 | C19 | C20 | 119.8° | 120.0° |
| N1 | C19 | C25 | 121.6° | 120.1° |
| C5 | C4 | N5 | 122.6° | 119.1° |
| C4 | C5 | C6 | 116.6° | 118.5° |
| C4 | C5 | H5 | 121.7° | 120.8° |
| C4 | N5 | C7 | 116.7° | 120.6° |
| C5 | C6 | N2 | 121.9° | 119.3° |
| C6 | C5 | H5 | 121.7° | 120.8° |
| C5 | C6 | H6 | 119.1° | 120.4° |
| C6 | N2 | C7 | 118.2° | 120.9° |
| N2 | C6 | H6 | 119.0° | 120.3° |
| N2 | C7 | N3 | 115.8° | 119.1° |
| N2 | C7 | N5 | 124.0° | 121.7° |
| N3 | C7 | N5 | 120.2° | 119.2° |
| C7 | N3 | C8 | 126.2° | 120.0° |
| C7 | N3 | H3 | 116.9° | 120.0° |
| N3 | C8 | C9 | 116.8° | 120.0° |
| N3 | C8 | C13 | 123.8° | 120.1° |
| C8 | N3 | H3 | 116.9° | 120.0° |
| C9 | C8 | C13 | 119.4° | 119.9° |
| C8 | C9 | C10 | 121.8° | 119.8° |
| C8 | C9 | H9 | 119.1° | 120.1° |
| C8 | C13 | C12 | 118.5° | 120.1° |
| C8 | C13 | H13 | 120.8° | 120.0° |
| C9 | C10 | C11 | 118.5° | 119.9° |
| C9 | C10 | N4 | 123.4° | 120.1° |
| C10 | C9 | H9 | 119.1° | 120.1° |
| C11 | C10 | N4 | 118.1° | 120.0° |
| C10 | C11 | C12 | 120.1° | 120.0° |
| C10 | C11 | H11 | 120.0° | 120.0° |
| C10 | N4 | C15 | 114.7° | 111.0° |
| C10 | N4 | C18 | 110.7° | 111.0° |
| C11 | C12 | C13 | 121.8° | 120.2° |
| C11 | C12 | S1 | 116.4° | 119.9° |
| C12 | C11 | H11 | 119.9° | 119.9° |
| C13 | C12 | S1 | 121.8° | 119.9° |
| C12 | C13 | H13 | 120.8° | 120.0° |
| C12 | S1 | O1 | 106.8° | 104.3° |
| C12 | S1 | O2 | 105.5° | 104.3° |
| C12 | S1 | C14 | 106.0° | 104.5° |
| O1 | S1 | O2 | 119.8° | 121.0° |
| O1 | S1 | C14 | 108.9° | 110.5° |
| O2 | S1 | C14 | 108.9° | 110.5° |
| S1 | C14 | H141 | 109.5° | 109.5° |
| S1 | C14 | H142 | 109.5° | 109.5° |
| S1 | C14 | H143 | 109.5° | 109.5° |
| C15 | N4 | C18 | 116.5° | 110.7° |
| N4 | C15 | C16 | 106.9° | 109.3° |
| N4 | C15 | H151 | 110.3° | 109.5° |
| N4 | C15 | H152 | 110.9° | 109.5° |
| N4 | C18 | C17 | 105.3° | 109.2° |
| N4 | C18 | H181 | 110.9° | 109.6° |
| N4 | C18 | H182 | 111.8° | 109.5° |
| C15 | C16 | O3 | 107.9° | 109.3° |
| C16 | C15 | H151 | 110.3° | 109.5° |
| C16 | C15 | H152 | 110.9° | 109.6° |
| C15 | C16 | H161 | 110.0° | 109.6° |
| C15 | C16 | H162 | 110.3° | 109.5° |
| C16 | O3 | C17 | 110.0° | 113.7° |
| O3 | C16 | H161 | 110.0° | 109.5° |
| O3 | C16 | H162 | 110.3° | 109.5° |
| O3 | C17 | C18 | 106.7° | 109.2° |
| O3 | C17 | H171 | 110.4° | 109.6° |
| O3 | C17 | H172 | 111.0° | 109.5° |
| C17 | C18 | H181 | 110.9° | 109.5° |
| C17 | C18 | H182 | 111.8° | 109.5° |
| C18 | C17 | H171 | 110.4° | 109.5° |
| C18 | C17 | H172 | 111.0° | 109.5° |
| C20 | C19 | C25 | 118.6° | 119.9° |
| C19 | C20 | C21 | 121.2° | 119.9° |
| C19 | C20 | H20 | 119.4° | 120.0° |
| C19 | C25 | C24 | 120.2° | 120.0° |
| C19 | C25 | C26 | 121.1° | 120.1° |
| C20 | C21 | C22 | 118.7° | 120.0° |
| C20 | C21 | C23 | 119.8° | 120.1° |
| C21 | C20 | H20 | 119.4° | 120.1° |
| C22 | C21 | C23 | 121.5° | 119.9° |
| C21 | C22 | O4 | 110.1° | 109.5° |
| C21 | C22 | H221 | 109.2° | 109.5° |
| C21 | C22 | H222 | 109.1° | 109.5° |
| C21 | C23 | C24 | 119.7° | 120.1° |
| C21 | C23 | H23 | 120.1° | 119.9° |
| O4 | C22 | H221 | 109.3° | 109.4° |
| O4 | C22 | H222 | 109.1° | 109.5° |
| C22 | O4 | H4 | 109.5° | 113.9° |
| C23 | C24 | C25 | 120.5° | 120.0° |
| C24 | C23 | H23 | 120.1° | 120.0° |
| C23 | C24 | H24 | 119.7° | 119.9° |
| C24 | C25 | C26 | 118.8° | 120.0° |
| C25 | C24 | H24 | 119.7° | 120.0° |
| C25 | C26 | H261 | 109.5° | 109.4° |
| C25 | C26 | H262 | 109.5° | 109.5° |
| C25 | C26 | H263 | 109.5° | 109.4° |
| H11C | C1 | H12C | 109.4° | 109.5° |
| H11C | C1 | H13C | 109.5° | 109.4° |
| H12C | C1 | H13C | 109.5° | 109.5° |
| H31C | C3 | H32C | 109.5° | 109.5° |
| H31C | C3 | H33C | 109.5° | 109.5° |
| H32C | C3 | H33C | 109.5° | 109.4° |
| H141 | C14 | H142 | 109.4° | 109.5° |
| H141 | C14 | H143 | 109.4° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.4° |
| H151 | C15 | H152 | 107.5° | 109.5° |
| H181 | C18 | H182 | 106.3° | 109.6° |
| H161 | C16 | H162 | 108.3° | 109.5° |
| H171 | C17 | H172 | 107.3° | 109.5° |
| H221 | C22 | H222 | 110.0° | 109.4° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H261 | C26 | H263 | 109.5° | 109.5° |
| H262 | C26 | H263 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | N1 | 129.1° | 120.0° |
| C1 | C2 | C3 | H2 | 116.5° | 120.0° |
| C1 | C2 | N1 | H2 | 116.0° | 120.0° |
| C1 | C2 | N1 | C4 | 73.5° | 125.6° |
| C1 | C2 | N1 | C19 | 89.1° | 54.4° |
| C2 | C1 | H11C | H12C | 120.0° | 120.0° |
| C2 | C1 | H11C | H13C | 120.0° | 120.0° |
| C2 | C1 | H12C | H13C | 120.0° | 120.0° |
| C1 | C2 | C3 | H31C | 179.2° | 60.0° |
| C1 | C2 | C3 | H32C | 59.2° | 180.0° |
| C1 | C2 | C3 | H33C | 60.8° | 60.0° |
| C3 | C2 | N1 | H2 | 116.5° | 120.0° |
| C3 | C2 | N1 | C4 | 159.0° | 114.4° |
| C3 | C2 | N1 | C19 | 38.4° | 65.6° |
| C3 | C2 | C1 | H11C | 0.6° | 60.0° |
| C3 | C2 | C1 | H12C | 119.4° | 180.0° |
| C3 | C2 | C1 | H13C | 120.6° | 60.0° |
| C2 | C3 | H31C | H32C | 120.0° | 120.0° |
| C2 | C3 | H31C | H33C | 120.0° | 120.0° |
| C2 | C3 | H32C | H33C | 120.0° | 120.0° |
| C2 | N1 | C4 | C19 | 161.3° | 180.0° |
| C2 | N1 | C4 | C5 | 165.3° | 11.0° |
| C2 | N1 | C4 | N5 | 14.7° | 169.3° |
| C2 | N1 | C19 | C20 | 64.2° | 90.0° |
| C2 | N1 | C19 | C25 | 115.9° | 90.3° |
| N1 | C2 | C1 | H11C | 128.2° | 180.0° |
| N1 | C2 | C1 | H12C | 111.8° | 60.0° |
| N1 | C2 | C1 | H13C | 8.2° | 60.0° |
| N1 | C2 | C3 | H31C | 51.7° | 60.0° |
| N1 | C2 | C3 | H32C | 171.7° | 60.1° |
| N1 | C2 | C3 | H33C | 68.3° | 180.0° |
| N1 | C4 | C5 | N5 | 179.9° | 179.8° |
| N1 | C4 | C5 | C6 | 179.8° | 180.0° |
| N1 | C4 | N5 | C7 | 179.7° | 179.8° |
| C4 | N1 | C19 | C20 | 96.8° | 90.0° |
| C4 | N1 | C19 | C25 | 83.0° | 89.7° |
| C4 | N1 | C2 | H2 | 42.5° | 5.6° |
| N1 | C4 | C5 | H5 | 0.2° | 0.0° |
| C19 | N1 | C4 | C5 | 4.1° | 169.0° |
| C19 | N1 | C4 | N5 | 176.0° | 10.7° |
| N1 | C19 | C20 | C25 | 179.9° | 179.7° |
| N1 | C19 | C20 | C21 | 179.4° | 180.0° |
| N1 | C19 | C25 | C24 | 179.8° | 179.7° |
| N1 | C19 | C25 | C26 | 0.0° | 0.0° |
| C19 | N1 | C2 | H2 | 154.9° | 174.4° |
| N1 | C19 | C20 | H20 | 0.6° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | N2 | 0.1° | 0.0° |
| C5 | C4 | N5 | C7 | 0.2° | 0.5° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| N5 | C4 | C5 | C6 | 0.2° | 0.2° |
| C4 | N5 | C7 | N2 | 0.1° | 0.5° |
| C4 | N5 | C7 | N3 | 179.6° | 179.8° |
| N5 | C4 | C5 | H5 | 179.8° | 179.8° |
| C5 | C6 | N2 | H6 | 180.0° | 180.0° |
| C5 | C6 | N2 | C7 | 0.1° | 0.0° |
| C6 | N2 | C7 | N3 | 179.7° | 180.0° |
| C6 | N2 | C7 | N5 | 0.1° | 0.3° |
| N2 | C6 | C5 | H5 | 179.9° | 180.0° |
| N2 | C7 | N3 | N5 | 179.8° | 179.7° |
| N2 | C7 | N3 | C8 | 172.3° | 5.2° |
| C7 | N2 | C6 | H6 | 179.9° | 180.0° |
| N2 | C7 | N3 | H3 | 7.7° | 174.8° |
| C7 | N3 | C8 | H3 | 180.0° | 180.0° |
| C7 | N3 | C8 | C9 | 168.5° | 146.6° |
| C7 | N3 | C8 | C13 | 11.9° | 33.2° |
| N5 | C7 | N3 | C8 | 8.0° | 174.5° |
| N5 | C7 | N3 | H3 | 172.0° | 5.4° |
| N3 | C8 | C9 | C13 | 179.6° | 179.8° |
| N3 | C8 | C9 | C10 | 179.8° | 180.0° |
| N3 | C8 | C13 | C12 | 179.9° | 179.7° |
| N3 | C8 | C9 | H9 | 0.2° | 0.0° |
| N3 | C8 | C13 | H13 | 0.2° | 0.1° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.0° | 0.0° |
| C8 | C9 | C10 | N4 | 179.7° | 179.9° |
| C9 | C8 | C13 | C12 | 0.3° | 0.5° |
| C9 | C8 | N3 | H3 | 11.5° | 33.5° |
| C9 | C8 | C13 | H13 | 179.7° | 179.7° |
| C13 | C8 | C9 | C10 | 0.2° | 0.2° |
| C8 | C13 | C12 | C11 | 0.2° | 0.6° |
| C8 | C13 | C12 | H13 | 180.0° | 179.7° |
| C8 | C13 | C12 | S1 | 179.8° | 179.7° |
| C13 | C8 | N3 | H3 | 168.1° | 146.7° |
| C13 | C8 | C9 | H9 | 179.8° | 179.8° |
| C9 | C10 | C11 | N4 | 179.7° | 179.9° |
| C9 | C10 | C11 | C12 | 0.1° | 0.0° |
| C9 | C10 | N4 | C15 | 8.6° | 0.1° |
| C9 | C10 | N4 | C18 | 143.0° | 123.6° |
| C9 | C10 | C11 | H11 | 179.9° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.3° |
| C10 | C11 | C12 | S1 | 179.6° | 180.0° |
| C11 | C10 | N4 | C15 | 171.7° | 180.0° |
| C11 | C10 | N4 | C18 | 37.3° | 56.5° |
| C11 | C10 | C9 | H9 | 180.0° | 179.9° |
| N4 | C10 | C11 | C12 | 179.8° | 179.9° |
| C10 | N4 | C15 | C18 | 131.7° | 123.7° |
| C10 | N4 | C15 | C16 | 172.6° | 177.6° |
| C10 | N4 | C18 | C17 | 168.2° | 177.6° |
| N4 | C10 | C9 | H9 | 0.3° | 0.0° |
| N4 | C10 | C11 | H11 | 0.2° | 0.1° |
| C10 | N4 | C15 | H151 | 52.6° | 57.7° |
| C10 | N4 | C15 | H152 | 66.4° | 62.4° |
| C10 | N4 | C18 | H181 | 71.7° | 62.4° |
| C10 | N4 | C18 | H182 | 46.7° | 57.8° |
| C11 | C12 | C13 | S1 | 179.6° | 179.7° |
| C11 | C12 | S1 | O1 | 12.1° | 153.9° |
| C11 | C12 | S1 | O2 | 116.5° | 26.0° |
| C11 | C12 | S1 | C14 | 128.1° | 90.0° |
| C11 | C12 | C13 | H13 | 179.8° | 179.7° |
| C13 | C12 | S1 | O1 | 168.3° | 26.4° |
| C13 | C12 | S1 | O2 | 63.2° | 154.3° |
| C13 | C12 | S1 | C14 | 52.2° | 89.7° |
| C13 | C12 | C11 | H11 | 180.0° | 179.7° |
| C12 | S1 | O1 | O2 | 119.7° | 116.8° |
| C12 | S1 | O1 | C14 | 114.1° | 111.8° |
| C12 | S1 | O2 | C14 | 113.4° | 111.7° |
| S1 | C12 | C13 | H13 | 0.2° | 0.0° |
| S1 | C12 | C11 | H11 | 0.4° | 0.0° |
| C12 | S1 | C14 | H141 | 12.4° | 60.0° |
| C12 | S1 | C14 | H142 | 132.4° | 180.0° |
| C12 | S1 | C14 | H143 | 107.6° | 60.0° |
| O1 | S1 | O2 | C14 | 126.2° | 131.5° |
| O1 | S1 | C14 | H141 | 102.2° | 51.7° |
| O1 | S1 | C14 | H142 | 17.7° | 68.3° |
| O1 | S1 | C14 | H143 | 137.8° | 171.7° |
| O2 | S1 | C14 | H141 | 125.5° | 171.6° |
| O2 | S1 | C14 | H142 | 114.5° | 68.4° |
| O2 | S1 | C14 | H143 | 5.5° | 51.6° |
| S1 | C14 | H141 | H142 | 120.0° | 120.0° |
| S1 | C14 | H141 | H143 | 120.0° | 120.0° |
| S1 | C14 | H142 | H143 | 120.0° | 120.0° |
| N4 | C15 | C16 | H151 | 120.0° | 119.9° |
| N4 | C15 | C16 | H152 | 121.0° | 120.0° |
| N4 | C15 | C16 | O3 | 55.9° | 56.9° |
| C15 | N4 | C18 | C17 | 58.3° | 58.7° |
| N4 | C15 | H151 | H152 | 121.0° | 120.1° |
| C15 | N4 | C18 | H181 | 61.8° | 61.3° |
| C15 | N4 | C18 | H182 | 179.8° | 178.5° |
| N4 | C15 | C16 | H161 | 64.1° | 63.1° |
| N4 | C15 | C16 | H162 | 176.6° | 176.8° |
| C18 | N4 | C15 | C16 | 55.8° | 58.7° |
| N4 | C18 | C17 | O3 | 60.7° | 56.9° |
| N4 | C18 | C17 | H181 | 120.0° | 120.0° |
| N4 | C18 | C17 | H182 | 121.6° | 119.9° |
| C18 | N4 | C15 | H151 | 175.7° | 178.6° |
| C18 | N4 | C15 | H152 | 65.2° | 61.3° |
| N4 | C18 | H181 | H182 | 121.7° | 120.1° |
| N4 | C18 | C17 | H171 | 59.3° | 63.1° |
| N4 | C18 | C17 | H172 | 178.2° | 176.8° |
| C15 | C16 | O3 | H161 | 120.0° | 120.0° |
| C15 | C16 | O3 | H162 | 120.6° | 120.0° |
| C15 | C16 | O3 | C17 | 66.5° | 58.7° |
| C16 | C15 | H151 | H152 | 121.0° | 120.1° |
| C15 | C16 | H161 | H162 | 120.6° | 120.2° |
| C16 | O3 | C17 | C18 | 69.4° | 58.7° |
| O3 | C16 | C15 | H151 | 175.9° | 176.8° |
| O3 | C16 | C15 | H152 | 65.0° | 63.1° |
| O3 | C16 | H161 | H162 | 120.6° | 120.0° |
| C16 | O3 | C17 | H171 | 50.6° | 61.3° |
| C16 | O3 | C17 | H172 | 169.5° | 178.6° |
| O3 | C17 | C18 | H171 | 120.0° | 120.0° |
| O3 | C17 | C18 | H172 | 121.1° | 119.9° |
| O3 | C17 | C18 | H181 | 59.3° | 63.1° |
| O3 | C17 | C18 | H182 | 177.7° | 176.8° |
| C17 | O3 | C16 | H161 | 53.5° | 61.3° |
| C17 | O3 | C16 | H162 | 172.9° | 178.6° |
| O3 | C17 | H171 | H172 | 121.1° | 120.2° |
| C17 | C18 | H181 | H182 | 121.7° | 120.1° |
| C18 | C17 | H171 | H172 | 121.1° | 120.0° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 179.1° | 180.0° |
| C19 | C20 | C21 | C23 | 0.3° | 0.0° |
| C20 | C19 | C25 | C24 | 0.3° | 0.5° |
| C20 | C19 | C25 | C26 | 179.8° | 179.7° |
| C25 | C19 | C20 | C21 | 0.7° | 0.3° |
| C19 | C25 | C24 | C23 | 0.4° | 0.6° |
| C19 | C25 | C24 | C26 | 179.8° | 179.7° |
| C25 | C19 | C20 | H20 | 179.3° | 179.7° |
| C19 | C25 | C24 | H24 | 179.6° | 179.6° |
| C19 | C25 | C26 | H261 | 158.5° | 90.0° |
| C19 | C25 | C26 | H262 | 38.5° | 150.0° |
| C19 | C25 | C26 | H263 | 81.5° | 30.0° |
| C20 | C21 | C22 | C23 | 179.4° | 180.0° |
| C20 | C21 | C22 | O4 | 121.5° | 90.0° |
| C20 | C21 | C23 | C24 | 0.4° | 0.0° |
| C20 | C21 | C22 | H221 | 118.5° | 150.0° |
| C20 | C21 | C22 | H222 | 1.8° | 30.0° |
| C20 | C21 | C23 | H23 | 179.6° | 180.0° |
| C21 | C22 | O4 | H221 | 120.0° | 120.0° |
| C21 | C22 | O4 | H222 | 119.7° | 120.0° |
| C22 | C21 | C23 | C24 | 179.8° | 180.0° |
| C22 | C21 | C20 | H20 | 0.9° | 0.0° |
| C21 | C22 | H221 | H222 | 119.7° | 120.0° |
| C22 | C21 | C23 | H23 | 0.2° | 0.0° |
| C21 | C22 | O4 | H4 | 148.2° | 180.0° |
| C23 | C21 | C22 | O4 | 59.1° | 89.9° |
| C21 | C23 | C24 | H23 | 180.0° | 179.9° |
| C21 | C23 | C24 | C25 | 0.8° | 0.3° |
| C23 | C21 | C20 | H20 | 179.7° | 179.9° |
| C23 | C21 | C22 | H221 | 60.9° | 30.0° |
| C23 | C21 | C22 | H222 | 178.8° | 150.0° |
| C21 | C23 | C24 | H24 | 179.2° | 179.9° |
| O4 | C22 | H221 | H222 | 119.8° | 120.0° |
| C23 | C24 | C25 | H24 | 180.0° | 179.8° |
| C23 | C24 | C25 | C26 | 179.4° | 179.7° |
| C25 | C24 | C23 | H23 | 179.2° | 179.7° |
| C24 | C25 | C26 | H261 | 21.7° | 89.7° |
| C24 | C25 | C26 | H262 | 141.7° | 30.2° |
| C24 | C25 | C26 | H263 | 98.3° | 150.3° |
| C26 | C25 | C24 | H24 | 0.6° | 0.1° |
| C25 | C26 | H261 | H262 | 120.0° | 120.0° |
| C25 | C26 | H261 | H263 | 120.0° | 119.9° |
| C25 | C26 | H262 | H263 | 120.0° | 120.0° |
| H11C | C1 | H12C | H13C | 120.0° | 119.9° |
| H11C | C1 | C2 | H2 | 117.5° | 60.0° |
| H12C | C1 | C2 | H2 | 2.5° | 60.0° |
| H13C | C1 | C2 | H2 | 122.5° | 180.0° |
| H2 | C2 | C3 | H31C | 62.7° | 180.0° |
| H2 | C2 | C3 | H32C | 57.3° | 60.0° |
| H2 | C2 | C3 | H33C | 177.3° | 60.0° |
| H31C | C3 | H32C | H33C | 120.0° | 120.0° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
| H141 | C14 | H142 | H143 | 119.9° | 120.0° |
| H151 | C15 | C16 | H161 | 55.9° | 56.8° |
| H151 | C15 | C16 | H162 | 63.4° | 63.3° |
| H152 | C15 | C16 | H161 | 175.0° | 176.9° |
| H152 | C15 | C16 | H162 | 55.6° | 56.8° |
| H181 | C18 | C17 | H171 | 179.3° | 176.9° |
| H181 | C18 | C17 | H172 | 61.8° | 56.9° |
| H182 | C18 | C17 | H171 | 62.3° | 56.8° |
| H182 | C18 | C17 | H172 | 56.6° | 63.3° |
| H221 | C22 | O4 | H4 | 91.8° | 60.0° |
| H222 | C22 | O4 | H4 | 28.5° | 60.0° |
| H23 | C23 | C24 | H24 | 0.8° | 0.1° |
| H261 | C26 | H262 | H263 | 120.0° | 120.0° |
