Obsolete: SLT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| O2A | C2A | sing | 1.43Å | 1.44Å | |
| O3A | C3A | sing | 1.43Å | 1.43Å | |
| O4 | C4 | sing | 1.43Å | 1.43Å | |
| C5 | O5 | sing | 1.43Å | 1.40Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| O5 | C1 | sing | 1.43Å | 1.41Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C3A | C2A | sing | 1.53Å | 1.51Å | |
| C3A | C4A | sing | 1.53Å | 1.53Å | |
| C2A | C1A | sing | 1.53Å | 1.52Å | |
| O1A | C1A | sing | 1.43Å | 1.40Å | |
| C1 | O1 | sing | 1.43Å | 1.41Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1A | O5A | sing | 1.43Å | 1.42Å | |
| O19 | C19 | doub | 1.21Å | 1.25Å | |
| O1 | C4A | sing | 1.43Å | 1.42Å | |
| C4A | C5A | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | O9 | sing | 1.43Å | 1.42Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| O9 | C9 | sing | 1.43Å | 1.43Å | |
| O11 | C11 | sing | 1.43Å | 1.42Å | |
| C5A | O5A | sing | 1.43Å | 1.42Å | |
| C5A | C6A | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C19 | C9 | sing | 1.51Å | 1.52Å | |
| C19 | O20 | sing | 1.34Å | 1.24Å | |
| C9 | O13 | sing | 1.43Å | 1.40Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C6A | O6A | sing | 1.43Å | 1.43Å | |
| C12 | N12 | sing | 1.46Å | 1.46Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| O13 | C13 | sing | 1.43Å | 1.42Å | |
| O17 | C17 | doub | 1.21Å | 1.24Å | |
| N12 | C17 | sing | 1.35Å | 1.33Å | |
| O14 | C14 | sing | 1.43Å | 1.43Å | |
| C17 | C18 | sing | 1.51Å | 1.50Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | O15 | sing | 1.43Å | 1.43Å | |
| C16 | O16 | sing | 1.43Å | 1.44Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| N12 | H11 | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| O14 | H9 | sing | 0.97Å | 0.95Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| O15 | H10 | sing | 0.97Å | 0.95Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| O16 | H16 | sing | 0.97Å | 0.95Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| O11 | H18 | sing | 0.97Å | 0.95Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| O20 | H20 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C4A | H4A | sing | 1.09Å | 1.10Å | |
| C5A | H5A | sing | 1.09Å | 1.10Å | |
| C6A | H6A1 | sing | 1.09Å | 1.10Å | |
| C6A | H6A2 | sing | 1.09Å | 1.10Å | |
| O6A | H6A | sing | 0.97Å | 0.95Å | |
| C3A | H3A | sing | 1.09Å | 1.10Å | |
| O3A | H6 | sing | 0.97Å | 0.95Å | |
| C2A | H2A | sing | 1.09Å | 1.10Å | |
| O2A | H7 | sing | 0.97Å | 0.95Å | |
| C1A | H1A | sing | 1.09Å | 1.10Å | |
| O1A | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | C5 | 105.6° | 109.5° |
| O6 | C6 | H61 | 110.4° | 109.5° |
| O6 | C6 | H62 | 110.4° | 109.4° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| C6 | C5 | O5 | 110.4° | 109.5° |
| C6 | C5 | C4 | 111.3° | 109.5° |
| C6 | C5 | H5 | 107.9° | 109.5° |
| C5 | C6 | H61 | 110.4° | 109.5° |
| C5 | C6 | H62 | 110.4° | 109.5° |
| O2A | C2A | C3A | 106.9° | 109.5° |
| O2A | C2A | C1A | 109.6° | 109.5° |
| O2A | C2A | H2A | 110.4° | 109.6° |
| C2A | O2A | H7 | 109.5° | 114.0° |
| O3A | C3A | C2A | 108.8° | 109.6° |
| O3A | C3A | C4A | 110.2° | 109.5° |
| O3A | C3A | H3A | 111.1° | 109.7° |
| C3A | O3A | H6 | 109.5° | 114.0° |
| O4 | C4 | C5 | 110.3° | 109.6° |
| O4 | C4 | C3 | 107.9° | 109.5° |
| O4 | C4 | H4 | 110.1° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O5 | C5 | C4 | 109.5° | 109.4° |
| C5 | O5 | C1 | 113.5° | 114.1° |
| O5 | C5 | H5 | 109.7° | 109.4° |
| C5 | C4 | C3 | 111.3° | 109.2° |
| C5 | C4 | H4 | 108.6° | 109.5° |
| C4 | C5 | H5 | 107.9° | 109.5° |
| O5 | C1 | O1 | 107.8° | 109.5° |
| O5 | C1 | C2 | 109.5° | 109.4° |
| O5 | C1 | H1 | 110.9° | 109.5° |
| C4 | C3 | C2 | 109.4° | 109.0° |
| C4 | C3 | O9 | 108.6° | 109.6° |
| C4 | C3 | H3 | 107.9° | 109.6° |
| C3 | C4 | H4 | 108.7° | 109.5° |
| C2A | C3A | C4A | 107.2° | 109.0° |
| C3A | C2A | C1A | 111.6° | 109.2° |
| C2A | C3A | H3A | 109.9° | 109.6° |
| C3A | C2A | H2A | 109.3° | 109.5° |
| C3A | C4A | O1 | 110.0° | 109.5° |
| C3A | C4A | C5A | 110.7° | 109.1° |
| C3A | C4A | H4A | 110.3° | 109.5° |
| C4A | C3A | H3A | 109.6° | 109.5° |
| C2A | C1A | O1A | 110.0° | 109.5° |
| C2A | C1A | O5A | 107.8° | 109.4° |
| C1A | C2A | H2A | 109.1° | 109.5° |
| C2A | C1A | H1A | 109.3° | 109.5° |
| O1A | C1A | O5A | 108.0° | 109.5° |
| O1A | C1A | H1A | 111.0° | 109.5° |
| C1A | O1A | H8 | 109.5° | 114.0° |
| O1 | C1 | C2 | 108.3° | 109.5° |
| C1 | O1 | C4A | 116.6° | 114.0° |
| O1 | C1 | H1 | 111.0° | 109.5° |
| C1 | C2 | C3 | 110.1° | 109.2° |
| C1 | C2 | O2 | 106.5° | 109.5° |
| C1 | C2 | H2 | 109.8° | 109.6° |
| C2 | C1 | H1 | 109.4° | 109.5° |
| C1A | O5A | C5A | 113.0° | 114.1° |
| O5A | C1A | H1A | 110.7° | 109.5° |
| O19 | C19 | C9 | 117.5° | 120.0° |
| O19 | C19 | O20 | 120.4° | 120.0° |
| O1 | C4A | C5A | 103.3° | 109.6° |
| O1 | C4A | H4A | 112.0° | 109.6° |
| C4A | C5A | O5A | 109.2° | 109.4° |
| C4A | C5A | C6A | 112.0° | 109.4° |
| C5A | C4A | H4A | 110.4° | 109.5° |
| C4A | C5A | H5A | 110.2° | 109.5° |
| C2 | C3 | O9 | 113.6° | 109.5° |
| C3 | C2 | O2 | 109.5° | 109.5° |
| C2 | C3 | H3 | 107.9° | 109.5° |
| C3 | C2 | H2 | 109.7° | 109.6° |
| C3 | O9 | C9 | 120.6° | 114.0° |
| O9 | C3 | H3 | 109.2° | 109.5° |
| O2 | C2 | H2 | 111.2° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| O9 | C9 | C10 | 110.4° | 109.5° |
| O9 | C9 | C19 | 108.2° | 109.5° |
| O9 | C9 | O13 | 109.9° | 109.5° |
| O11 | C11 | C10 | 108.9° | 109.6° |
| O11 | C11 | C12 | 106.7° | 109.6° |
| O11 | C11 | H17 | 111.3° | 109.6° |
| C11 | O11 | H18 | 109.5° | 114.1° |
| O5A | C5A | C6A | 103.6° | 109.5° |
| O5A | C5A | H5A | 111.7° | 109.5° |
| C5A | C6A | O6A | 112.9° | 109.4° |
| C6A | C5A | H5A | 110.0° | 109.5° |
| C5A | C6A | H6A1 | 108.6° | 109.5° |
| C5A | C6A | H6A2 | 108.6° | 109.5° |
| C9 | C10 | C11 | 115.7° | 109.2° |
| C10 | C9 | C19 | 107.4° | 109.5° |
| C10 | C9 | O13 | 114.2° | 109.4° |
| C9 | C10 | H101 | 107.9° | 109.6° |
| C9 | C10 | H102 | 107.9° | 109.5° |
| C10 | C11 | C12 | 110.4° | 109.1° |
| C10 | C11 | H17 | 109.7° | 109.5° |
| C11 | C10 | H101 | 107.9° | 109.6° |
| C11 | C10 | H102 | 107.9° | 109.5° |
| C9 | C19 | O20 | 122.0° | 120.0° |
| C19 | C9 | O13 | 106.5° | 109.5° |
| C19 | O20 | H20 | 109.5° | 117.0° |
| C9 | O13 | C13 | 120.2° | 114.1° |
| C11 | C12 | N12 | 111.0° | 109.5° |
| C11 | C12 | C13 | 107.9° | 109.1° |
| C11 | C12 | H12 | 108.5° | 109.6° |
| C12 | C11 | H17 | 109.8° | 109.5° |
| O6A | C6A | H6A1 | 108.6° | 109.5° |
| O6A | C6A | H6A2 | 108.6° | 109.5° |
| C6A | O6A | H6A | 109.5° | 114.0° |
| N12 | C12 | C13 | 111.7° | 109.5° |
| C12 | N12 | C17 | 122.4° | 120.0° |
| C12 | N12 | H11 | 118.8° | 120.0° |
| N12 | C12 | H12 | 109.3° | 109.5° |
| C12 | C13 | O13 | 112.8° | 109.4° |
| C12 | C13 | C14 | 113.6° | 109.5° |
| C13 | C12 | H12 | 108.3° | 109.6° |
| C12 | C13 | H13 | 107.1° | 109.5° |
| O13 | C13 | C14 | 107.3° | 109.4° |
| O13 | C13 | H13 | 108.6° | 109.5° |
| O17 | C17 | N12 | 125.1° | 120.0° |
| O17 | C17 | C18 | 118.9° | 120.0° |
| N12 | C17 | C18 | 116.0° | 120.0° |
| C17 | N12 | H11 | 118.8° | 120.0° |
| O14 | C14 | C13 | 111.1° | 109.5° |
| O14 | C14 | C15 | 109.0° | 109.4° |
| O14 | C14 | H14 | 109.1° | 109.5° |
| C14 | O14 | H9 | 109.5° | 114.0° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| C17 | C18 | H182 | 109.5° | 109.4° |
| C17 | C18 | H183 | 109.5° | 109.5° |
| C13 | C14 | C15 | 111.9° | 109.5° |
| C14 | C13 | H13 | 107.2° | 109.5° |
| C13 | C14 | H14 | 107.7° | 109.5° |
| C14 | C15 | C16 | 108.8° | 109.5° |
| C14 | C15 | O15 | 109.4° | 109.4° |
| C15 | C14 | H14 | 108.0° | 109.5° |
| C14 | C15 | H15 | 108.5° | 109.5° |
| C16 | C15 | O15 | 112.3° | 109.5° |
| C15 | C16 | O16 | 110.9° | 109.5° |
| C16 | C15 | H15 | 108.2° | 109.5° |
| C15 | C16 | H161 | 109.1° | 109.4° |
| C15 | C16 | H162 | 109.1° | 109.5° |
| O15 | C15 | H15 | 109.5° | 109.4° |
| C15 | O15 | H10 | 109.5° | 114.0° |
| O16 | C16 | H161 | 109.1° | 109.5° |
| O16 | C16 | H162 | 109.1° | 109.5° |
| C16 | O16 | H16 | 109.5° | 114.0° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H181 | C18 | H183 | 109.5° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.4° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.6° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| H6A1 | C6A | H6A2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | C5 | H61 | 119.4° | 120.0° |
| O6 | C6 | C5 | H62 | 119.4° | 120.0° |
| O6 | C6 | C5 | O5 | 66.3° | 65.0° |
| O6 | C6 | C5 | C4 | 171.8° | 175.1° |
| O6 | C6 | C5 | H5 | 53.5° | 55.0° |
| O6 | C6 | H61 | H62 | 121.8° | 119.9° |
| C6 | C5 | C4 | O4 | 57.3° | 57.6° |
| C6 | C5 | O5 | C4 | 122.9° | 120.0° |
| C6 | C5 | O5 | H5 | 118.8° | 120.0° |
| C6 | C5 | C4 | H5 | 118.3° | 120.1° |
| C6 | C5 | O5 | C1 | 175.0° | 178.9° |
| C6 | C5 | C4 | C3 | 177.0° | 177.6° |
| C6 | C5 | C4 | H4 | 63.4° | 62.5° |
| C5 | C6 | H61 | H62 | 121.8° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O2A | C2A | C3A | O3A | 65.4° | 63.3° |
| O2A | C2A | C3A | C1A | 119.8° | 119.9° |
| O2A | C2A | C3A | H2A | 119.4° | 120.1° |
| O2A | C2A | C3A | C4A | 175.4° | 176.9° |
| O2A | C2A | C1A | H2A | 121.0° | 120.2° |
| O2A | C2A | C1A | O1A | 60.2° | 57.6° |
| O2A | C2A | C1A | O5A | 177.7° | 177.5° |
| O2A | C2A | C3A | H3A | 56.4° | 57.1° |
| O2A | C2A | C1A | H1A | 61.9° | 62.5° |
| O3A | C3A | C2A | C4A | 119.2° | 119.8° |
| O3A | C3A | C2A | H3A | 121.8° | 120.4° |
| O3A | C3A | C4A | H3A | 122.6° | 120.3° |
| O3A | C3A | C2A | C1A | 174.8° | 176.8° |
| O3A | C3A | C4A | O1 | 74.0° | 63.2° |
| O3A | C3A | C4A | C5A | 172.4° | 176.8° |
| O3A | C3A | C4A | H4A | 49.9° | 56.9° |
| O3A | C3A | C2A | H2A | 54.0° | 56.9° |
| O4 | C4 | C5 | O5 | 65.0° | 62.3° |
| O4 | C4 | C5 | C3 | 119.7° | 119.9° |
| O4 | C4 | C5 | H4 | 120.7° | 120.1° |
| O4 | C4 | C3 | H4 | 119.4° | 120.1° |
| O4 | C4 | C3 | C2 | 70.1° | 63.0° |
| O4 | C4 | C3 | O9 | 54.4° | 56.9° |
| O4 | C4 | C3 | H3 | 172.7° | 177.1° |
| O4 | C4 | C5 | H5 | 175.6° | 177.7° |
| O5 | C5 | C4 | H5 | 119.4° | 119.9° |
| O5 | C5 | C4 | C3 | 54.6° | 57.6° |
| C5 | O5 | C1 | O1 | 178.1° | 178.9° |
| C5 | O5 | C1 | C2 | 64.3° | 61.1° |
| O5 | C5 | C4 | H4 | 174.2° | 177.5° |
| O5 | C5 | C6 | H61 | 53.0° | 175.0° |
| O5 | C5 | C6 | H62 | 174.3° | 55.0° |
| C5 | O5 | C1 | H1 | 56.5° | 58.9° |
| C4 | C5 | O5 | C1 | 62.0° | 61.1° |
| C5 | C4 | C3 | H4 | 119.5° | 119.9° |
| C5 | C4 | C3 | C2 | 51.0° | 57.0° |
| C5 | C4 | C3 | O9 | 175.5° | 176.9° |
| C5 | C4 | C3 | H3 | 66.2° | 62.9° |
| C4 | C5 | C6 | H61 | 68.9° | 55.1° |
| C4 | C5 | C6 | H62 | 52.4° | 65.0° |
| C5 | C4 | O4 | HO4 | 180.0° | 60.2° |
| O5 | C1 | O1 | C2 | 118.3° | 119.9° |
| O5 | C1 | O1 | H1 | 121.6° | 120.0° |
| O5 | C1 | C2 | H1 | 121.7° | 120.0° |
| O5 | C1 | O1 | C4A | 87.1° | 65.1° |
| O5 | C1 | C2 | C3 | 58.0° | 57.6° |
| O5 | C1 | C2 | O2 | 176.6° | 177.5° |
| C1 | O5 | C5 | H5 | 56.2° | 58.9° |
| O5 | C1 | C2 | H2 | 62.9° | 62.3° |
| C4 | C3 | C2 | C1 | 52.5° | 57.0° |
| C4 | C3 | C2 | O9 | 121.6° | 119.9° |
| C4 | C3 | C2 | H3 | 117.2° | 119.9° |
| C4 | C3 | O9 | H3 | 117.4° | 120.3° |
| C4 | C3 | C2 | O2 | 169.3° | 176.9° |
| C4 | C3 | O9 | C9 | 113.5° | 98.6° |
| C3 | C4 | C5 | H5 | 64.7° | 62.3° |
| C3 | C4 | O4 | HO4 | 58.3° | 180.0° |
| C4 | C3 | C2 | H2 | 68.5° | 63.0° |
| C2A | C3A | C4A | H3A | 119.2° | 119.9° |
| C3A | C2A | C1A | H2A | 120.8° | 119.9° |
| C3A | C2A | C1A | O1A | 58.0° | 62.3° |
| C3A | C2A | C1A | O5A | 59.5° | 57.6° |
| C2A | C3A | C4A | O1 | 167.7° | 176.9° |
| C2A | C3A | C4A | C5A | 54.2° | 57.0° |
| C2A | C3A | C4A | H4A | 68.3° | 62.9° |
| C2A | C3A | O3A | H6 | 180.0° | 60.0° |
| C3A | C2A | O2A | H7 | 180.0° | 180.0° |
| C3A | C2A | C1A | H1A | 179.9° | 177.6° |
| C4A | C3A | C2A | C1A | 55.6° | 57.0° |
| C3A | C4A | O1 | C1 | 95.4° | 90.4° |
| C3A | C4A | O1 | C5A | 118.2° | 119.7° |
| C3A | C4A | O1 | H4A | 122.9° | 120.1° |
| C3A | C4A | C5A | H4A | 122.4° | 119.9° |
| C3A | C4A | C5A | O5A | 57.6° | 57.6° |
| C3A | C4A | C5A | C6A | 171.8° | 177.6° |
| C3A | C4A | C5A | H5A | 65.4° | 62.4° |
| C4A | C3A | O3A | H6 | 62.7° | 179.5° |
| C4A | C3A | C2A | H2A | 65.2° | 62.9° |
| C2A | C1A | O1A | O5A | 117.4° | 119.9° |
| C2A | C1A | O1A | H1A | 121.1° | 120.0° |
| C2A | C1A | O5A | H1A | 119.5° | 120.0° |
| C2A | C1A | O5A | C5A | 63.2° | 61.2° |
| C1A | C2A | C3A | H3A | 63.4° | 62.8° |
| C1A | C2A | O2A | H7 | 58.9° | 60.3° |
| C2A | C1A | O1A | H8 | 180.0° | 180.0° |
| O1A | C1A | O5A | H1A | 121.7° | 120.1° |
| O1A | C1A | O5A | C5A | 55.6° | 58.8° |
| O1A | C1A | C2A | H2A | 178.8° | 177.7° |
| O1 | C1 | C2 | H1 | 121.1° | 120.1° |
| C1 | O1 | C4A | C5A | 146.4° | 150.0° |
| O1 | C1 | C2 | C3 | 175.3° | 177.6° |
| O1 | C1 | C2 | O2 | 66.1° | 62.5° |
| O1 | C1 | C2 | H2 | 54.3° | 57.6° |
| C1 | O1 | C4A | H4A | 27.6° | 29.8° |
| C2 | C1 | O1 | C4A | 154.5° | 175.1° |
| C1 | C2 | C3 | O2 | 116.8° | 119.9° |
| C1 | C2 | C3 | H2 | 121.0° | 120.0° |
| C1 | C2 | C3 | O9 | 174.1° | 176.9° |
| C1 | C2 | O2 | H2 | 119.6° | 120.2° |
| C1 | C2 | C3 | H3 | 64.7° | 62.9° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.3° |
| C1A | O5A | C5A | C4A | 63.1° | 61.2° |
| C1A | O5A | C5A | C6A | 177.4° | 178.9° |
| C1A | O5A | C5A | H5A | 59.0° | 58.8° |
| O5A | C1A | C2A | H2A | 61.3° | 62.3° |
| O5A | C1A | O1A | H8 | 62.6° | 60.1° |
| O19 | C19 | C9 | O9 | 67.0° | 5.0° |
| O19 | C19 | C9 | C10 | 52.1° | 125.0° |
| O19 | C19 | C9 | O20 | 176.0° | 180.0° |
| O19 | C19 | C9 | O13 | 174.9° | 115.0° |
| O19 | C19 | O20 | H20 | 0.0° | 0.0° |
| O1 | C4A | C5A | H4A | 119.9° | 120.2° |
| O1 | C4A | C5A | O5A | 175.3° | 177.5° |
| O1 | C4A | C5A | C6A | 70.5° | 62.5° |
| C4A | O1 | C1 | H1 | 34.4° | 55.0° |
| O1 | C4A | C5A | H5A | 52.3° | 57.5° |
| O1 | C4A | C3A | H3A | 48.5° | 57.0° |
| C4A | C5A | O5A | C6A | 119.5° | 119.9° |
| C4A | C5A | O5A | H5A | 122.1° | 120.0° |
| C4A | C5A | C6A | H5A | 122.9° | 120.0° |
| C4A | C5A | C6A | O6A | 80.0° | 175.0° |
| C4A | C5A | C6A | H6A1 | 40.5° | 55.0° |
| C4A | C5A | C6A | H6A2 | 159.5° | 65.0° |
| C5A | C4A | C3A | H3A | 65.0° | 62.9° |
| C2 | C3 | O9 | H3 | 120.5° | 120.2° |
| C3 | C2 | O2 | H2 | 121.4° | 120.2° |
| C2 | C3 | O9 | C9 | 124.5° | 141.9° |
| C2 | C3 | C4 | H4 | 170.5° | 176.9° |
| C3 | C2 | O2 | HO2 | 60.9° | 179.9° |
| C3 | C2 | C1 | H1 | 63.7° | 62.3° |
| O9 | C3 | C2 | O2 | 69.2° | 63.2° |
| C3 | O9 | C9 | C10 | 148.8° | 66.1° |
| C3 | O9 | C9 | C19 | 31.6° | 174.0° |
| C3 | O9 | C9 | O13 | 84.3° | 53.9° |
| O9 | C3 | C4 | H4 | 64.9° | 63.2° |
| O9 | C3 | C2 | H2 | 53.1° | 56.9° |
| O2 | C2 | C3 | H3 | 52.1° | 56.9° |
| O2 | C2 | C1 | H1 | 55.0° | 57.6° |
| O9 | C9 | C10 | C19 | 117.7° | 120.0° |
| O9 | C9 | C10 | O13 | 124.5° | 120.0° |
| O9 | C9 | C10 | C11 | 88.6° | 177.6° |
| O9 | C9 | C19 | O13 | 118.1° | 120.0° |
| O9 | C9 | C19 | O20 | 109.0° | 175.0° |
| O9 | C9 | O13 | C13 | 88.6° | 178.8° |
| O9 | C9 | C10 | H101 | 32.3° | 62.4° |
| O9 | C9 | C10 | H102 | 150.5° | 57.7° |
| C9 | O9 | C3 | H3 | 4.0° | 21.7° |
| O11 | C11 | C10 | C9 | 127.3° | 176.9° |
| O11 | C11 | C10 | C12 | 116.9° | 120.0° |
| O11 | C11 | C10 | H17 | 122.0° | 120.2° |
| O11 | C11 | C12 | H17 | 120.7° | 120.2° |
| O11 | C11 | C12 | N12 | 64.2° | 63.2° |
| O11 | C11 | C12 | C13 | 173.1° | 176.9° |
| O11 | C11 | C12 | H12 | 55.9° | 57.0° |
| O11 | C11 | C10 | H101 | 6.4° | 63.1° |
| O11 | C11 | C10 | H102 | 111.8° | 57.0° |
| O5A | C5A | C6A | H5A | 119.5° | 120.1° |
| O5A | C5A | C6A | O6A | 162.4° | 65.1° |
| O5A | C5A | C4A | H4A | 64.8° | 62.3° |
| O5A | C5A | C6A | H6A1 | 77.1° | 174.9° |
| O5A | C5A | C6A | H6A2 | 41.9° | 54.9° |
| C5A | O5A | C1A | H1A | 177.3° | 178.8° |
| C5A | C6A | O6A | H6A1 | 120.5° | 120.0° |
| C5A | C6A | O6A | H6A2 | 120.5° | 120.0° |
| C6A | C5A | C4A | H4A | 49.4° | 57.7° |
| C5A | C6A | H6A1 | H6A2 | 118.4° | 120.0° |
| C5A | C6A | O6A | H6A | 180.0° | 180.0° |
| C9 | C10 | C11 | H101 | 120.9° | 120.0° |
| C9 | C10 | C11 | H102 | 120.9° | 119.8° |
| C10 | C9 | C19 | O13 | 122.8° | 120.0° |
| C10 | C9 | C19 | O20 | 131.9° | 55.0° |
| C9 | C10 | C11 | C12 | 10.4° | 56.9° |
| C10 | C9 | O13 | C13 | 36.2° | 61.1° |
| C9 | C10 | C11 | H17 | 110.7° | 62.9° |
| C9 | C10 | H101 | H102 | 117.2° | 120.1° |
| C11 | C10 | C9 | C19 | 153.7° | 62.4° |
| C11 | C10 | C9 | O13 | 35.9° | 57.5° |
| C10 | C11 | C12 | H17 | 121.1° | 119.8° |
| C10 | C11 | C12 | N12 | 177.6° | 176.9° |
| C10 | C11 | C12 | C13 | 54.9° | 57.0° |
| C10 | C11 | C12 | H12 | 62.3° | 63.0° |
| C10 | C11 | O11 | H18 | 180.0° | 60.3° |
| C11 | C10 | H101 | H102 | 117.2° | 120.1° |
| C19 | C9 | O13 | C13 | 154.5° | 58.8° |
| C19 | C9 | C10 | H101 | 85.4° | 57.6° |
| C19 | C9 | C10 | H102 | 32.8° | 177.7° |
| C9 | C19 | O20 | H20 | 175.9° | 180.0° |
| O20 | C19 | C9 | O13 | 9.1° | 64.9° |
| C9 | O13 | C13 | C12 | 11.0° | 61.2° |
| C9 | O13 | C13 | C14 | 136.8° | 178.8° |
| C9 | O13 | C13 | H13 | 107.5° | 58.8° |
| O13 | C9 | C10 | H101 | 156.8° | 177.5° |
| O13 | C9 | C10 | H102 | 85.0° | 62.3° |
| C11 | C12 | N12 | C13 | 120.5° | 119.7° |
| C11 | C12 | N12 | H12 | 119.6° | 120.1° |
| C11 | C12 | C13 | H12 | 117.3° | 120.0° |
| C11 | C12 | C13 | O13 | 57.8° | 57.7° |
| C11 | C12 | N12 | C17 | 140.4° | 85.3° |
| C11 | C12 | C13 | C14 | 179.8° | 177.6° |
| C11 | C12 | N12 | H11 | 39.6° | 94.7° |
| C11 | C12 | C13 | H13 | 61.6° | 62.4° |
| C12 | C11 | O11 | H18 | 60.8° | 180.0° |
| C12 | C11 | C10 | H101 | 110.5° | 176.9° |
| C12 | C11 | C10 | H102 | 131.4° | 62.9° |
| O6A | C6A | C5A | H5A | 42.9° | 55.0° |
| O6A | C6A | H6A1 | H6A2 | 118.5° | 120.0° |
| N12 | C12 | C13 | H12 | 120.4° | 120.1° |
| N12 | C12 | C13 | O13 | 179.8° | 177.6° |
| C12 | N12 | C17 | O17 | 9.4° | 0.1° |
| C12 | N12 | C17 | H11 | 180.0° | 179.9° |
| C12 | N12 | C17 | C18 | 170.6° | 179.8° |
| N12 | C12 | C13 | C14 | 57.4° | 62.5° |
| N12 | C12 | C13 | H13 | 60.8° | 57.5° |
| N12 | C12 | C11 | H17 | 56.5° | 57.0° |
| C12 | C13 | O13 | C14 | 125.8° | 119.9° |
| C12 | C13 | O13 | H13 | 118.5° | 120.0° |
| C13 | C12 | N12 | C17 | 99.1° | 155.1° |
| C12 | C13 | C14 | O14 | 54.4° | 58.7° |
| C12 | C13 | C14 | H13 | 118.1° | 120.0° |
| C12 | C13 | C14 | C15 | 176.5° | 178.7° |
| C13 | C12 | N12 | H11 | 80.9° | 25.0° |
| C12 | C13 | C14 | H14 | 65.0° | 61.2° |
| C13 | C12 | C11 | H17 | 66.2° | 62.9° |
| O13 | C13 | C14 | O14 | 70.9° | 61.2° |
| O13 | C13 | C14 | H13 | 116.5° | 120.1° |
| O13 | C13 | C14 | C15 | 51.1° | 58.8° |
| O13 | C13 | C12 | H12 | 59.4° | 62.3° |
| O13 | C13 | C14 | H14 | 169.7° | 178.8° |
| O17 | C17 | N12 | C18 | 179.9° | 179.8° |
| O17 | C17 | C18 | H181 | 0.0° | 0.1° |
| O17 | C17 | C18 | H182 | 120.0° | 120.1° |
| O17 | C17 | C18 | H183 | 120.0° | 120.0° |
| O17 | C17 | N12 | H11 | 170.6° | 180.0° |
| N12 | C17 | C18 | H181 | 180.0° | 179.7° |
| N12 | C17 | C18 | H182 | 59.9° | 59.8° |
| N12 | C17 | C18 | H183 | 60.0° | 60.2° |
| C17 | N12 | C12 | H12 | 20.8° | 34.9° |
| O14 | C14 | C13 | C15 | 122.1° | 120.0° |
| O14 | C14 | C13 | H14 | 119.4° | 120.0° |
| O14 | C14 | C15 | H14 | 118.3° | 120.0° |
| O14 | C14 | C15 | C16 | 54.7° | 63.9° |
| O14 | C14 | C15 | O15 | 177.7° | 176.2° |
| O14 | C14 | C13 | H13 | 172.5° | 178.7° |
| O14 | C14 | C15 | H15 | 62.8° | 56.2° |
| C17 | C18 | H181 | H182 | 120.0° | 119.9° |
| C17 | C18 | H181 | H183 | 120.0° | 120.1° |
| C17 | C18 | H182 | H183 | 120.0° | 120.0° |
| C18 | C17 | N12 | H11 | 9.4° | 0.2° |
| C13 | C14 | C15 | H14 | 118.4° | 120.0° |
| C13 | C14 | C15 | C16 | 177.9° | 176.1° |
| C13 | C14 | C15 | O15 | 59.1° | 56.2° |
| C14 | C13 | C12 | H12 | 63.0° | 57.6° |
| C13 | C14 | O14 | H9 | 76.6° | 60.0° |
| C13 | C14 | C15 | H15 | 60.4° | 63.8° |
| C14 | C15 | C16 | O15 | 121.3° | 120.0° |
| C14 | C15 | C16 | H15 | 117.7° | 120.0° |
| C14 | C15 | O15 | H15 | 118.8° | 119.9° |
| C14 | C15 | C16 | O16 | 62.8° | 175.0° |
| C15 | C14 | C13 | H13 | 65.4° | 61.3° |
| C15 | C14 | O14 | H9 | 159.7° | 180.0° |
| C14 | C15 | O15 | H10 | 180.0° | 60.1° |
| C14 | C15 | C16 | H161 | 177.0° | 55.0° |
| C14 | C15 | C16 | H162 | 57.4° | 64.9° |
| C16 | C15 | O15 | H15 | 120.2° | 120.1° |
| C15 | C16 | O16 | H161 | 120.2° | 120.0° |
| C15 | C16 | O16 | H162 | 120.2° | 120.0° |
| C16 | C15 | C14 | H14 | 63.7° | 56.1° |
| C16 | C15 | O15 | H10 | 59.0° | 60.0° |
| C15 | C16 | H161 | H162 | 119.4° | 120.0° |
| C15 | C16 | O16 | H16 | 180.0° | 180.0° |
| O15 | C15 | C16 | O16 | 58.5° | 65.0° |
| O15 | C15 | C14 | H14 | 59.4° | 63.9° |
| O15 | C15 | C16 | H161 | 61.7° | 175.0° |
| O15 | C15 | C16 | H162 | 178.7° | 55.0° |
| O16 | C16 | C15 | H15 | 179.5° | 55.0° |
| O16 | C16 | H161 | H162 | 119.3° | 120.0° |
| H181 | C18 | H182 | H183 | 120.0° | 120.1° |
| H11 | N12 | C12 | H12 | 159.2° | 145.2° |
| H12 | C12 | C13 | H13 | 178.9° | 177.6° |
| H12 | C12 | C11 | H17 | 176.6° | 177.2° |
| H13 | C13 | C14 | H14 | 53.2° | 58.8° |
| H14 | C14 | O14 | H9 | 42.0° | 60.0° |
| H14 | C14 | C15 | H15 | 178.8° | 176.2° |
| H15 | C15 | O15 | H10 | 61.2° | 180.0° |
| H15 | C15 | C16 | H161 | 59.3° | 65.0° |
| H15 | C15 | C16 | H162 | 60.3° | 175.0° |
| H161 | C16 | O16 | H16 | 59.8° | 60.0° |
| H162 | C16 | O16 | H16 | 59.7° | 60.0° |
| H17 | C11 | O11 | H18 | 58.9° | 59.8° |
| H17 | C11 | C10 | H101 | 128.4° | 57.1° |
| H17 | C11 | C10 | H102 | 10.2° | 177.3° |
| H3 | C3 | C4 | H4 | 53.3° | 57.0° |
| H3 | C3 | C2 | H2 | 174.4° | 177.1° |
| H4 | C4 | C5 | H5 | 54.9° | 57.6° |
| H4 | C4 | O4 | HO4 | 60.2° | 60.0° |
| H5 | C5 | C6 | H61 | 172.9° | 65.0° |
| H5 | C5 | C6 | H62 | 65.8° | 175.0° |
| H61 | C6 | O6 | HO6 | 60.6° | 60.0° |
| H62 | C6 | O6 | HO6 | 60.6° | 60.0° |
| H2 | C2 | O2 | HO2 | 60.5° | 59.9° |
| H2 | C2 | C1 | H1 | 175.4° | 177.7° |
| H4A | C4A | C5A | H5A | 172.2° | 177.7° |
| H4A | C4A | C3A | H3A | 172.5° | 177.2° |
| H5A | C5A | C6A | H6A1 | 163.4° | 65.0° |
| H5A | C5A | C6A | H6A2 | 77.6° | 175.0° |
| H6A1 | C6A | O6A | H6A | 59.5° | 60.0° |
| H6A2 | C6A | O6A | H6A | 59.5° | 60.0° |
| H3A | C3A | O3A | H6 | 58.9° | 60.3° |
| H3A | C3A | C2A | H2A | 175.8° | 177.2° |
| H2A | C2A | O2A | H7 | 61.3° | 59.9° |
| H2A | C2A | C1A | H1A | 59.1° | 57.7° |
| H1A | C1A | O1A | H8 | 58.9° | 60.0° |
