WS2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2' | C2' | sing | 1.43Å | 1.43Å | |
| O3' | C3' | sing | 1.43Å | 1.43Å | |
| C2' | C3' | sing | 1.54Å | 1.54Å | |
| C2' | C1' | sing | 1.54Å | 1.54Å | |
| C4' | C3' | sing | 1.55Å | 1.55Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C5' | N11 | sing | 1.46Å | 1.46Å | |
| O13 | C12 | doub | 1.21Å | 1.21Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| C1' | N1 | sing | 1.47Å | 1.47Å | |
| O2 | C2 | doub | 1.22Å | 1.22Å | |
| C12 | N11 | sing | 1.35Å | 1.35Å | |
| C12 | C14 | sing | 1.48Å | 1.48Å | |
| O1' | C20 | sing | 1.43Å | 1.43Å | |
| N1 | C2 | sing | 1.35Å | 1.35Å | |
| N1 | C6 | sing | 1.37Å | 1.37Å | |
| C2 | N3 | sing | 1.35Å | 1.35Å | |
| N19 | C14 | doub | 1.33Å | 1.33Å | Aromatic |
| N19 | C18 | sing | 1.31Å | 1.31Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.35Å | 1.35Å | |
| C20 | C18 | sing | 1.51Å | 1.51Å | |
| N3 | C4 | sing | 1.35Å | 1.35Å | |
| C18 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.42Å | 1.42Å | |
| C4 | O4 | doub | 1.22Å | 1.22Å | |
| C17 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C1' | H4 | sing | 1.09Å | 1.10Å | |
| C2' | H5 | sing | 1.09Å | 1.10Å | |
| O2' | H6 | sing | 0.97Å | 0.95Å | |
| C3' | H7 | sing | 1.09Å | 1.10Å | |
| O3' | H8 | sing | 0.97Å | 0.95Å | |
| C4' | H9 | sing | 1.09Å | 1.10Å | |
| C5' | H10 | sing | 1.09Å | 1.10Å | |
| C5' | H11 | sing | 1.09Å | 1.10Å | |
| N11 | H12 | sing | 0.97Å | 1.00Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| O1' | C11 | sing | 1.43Å | 1.43Å | |
| C11 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C33 | sing | 1.53Å | 1.53Å | |
| C33 | C44 | sing | 1.53Å | 1.53Å | |
| C44 | C55 | sing | 1.53Å | 1.53Å | |
| C55 | O66 | sing | 1.43Å | 1.43Å | |
| O66 | C11 | sing | 1.43Å | 1.43Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C33 | H21 | sing | 1.09Å | 1.10Å | |
| C44 | H23 | sing | 1.09Å | 1.10Å | |
| C55 | H25 | sing | 1.09Å | 1.10Å | |
| C55 | C77 | sing | 1.53Å | 1.53Å | |
| C77 | O70 | sing | 1.43Å | 1.43Å | |
| C77 | H26 | sing | 1.09Å | 1.10Å | |
| C77 | H27 | sing | 1.09Å | 1.10Å | |
| O70 | H28 | sing | 0.97Å | 0.95Å | |
| C44 | O71 | sing | 1.43Å | 1.43Å | |
| C33 | O72 | sing | 1.43Å | 1.43Å | |
| C22 | O73 | sing | 1.43Å | 1.43Å | |
| O71 | H20 | sing | 0.97Å | 0.95Å | |
| O72 | H22 | sing | 0.97Å | 0.95Å | |
| O73 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2' | C2' | C3' | 110.5° | 110.5° |
| O2' | C2' | C1' | 110.6° | 110.6° |
| O2' | C2' | H5 | 111.6° | 110.5° |
| C2' | O2' | H6 | 109.5° | 114.0° |
| O3' | C3' | C2' | 110.5° | 110.5° |
| O3' | C3' | C4' | 110.6° | 110.6° |
| O3' | C3' | H7 | 111.6° | 110.4° |
| C3' | O3' | H8 | 109.5° | 114.1° |
| C3' | C2' | C1' | 104.0° | 104.0° |
| C2' | C3' | C4' | 104.1° | 104.1° |
| C3' | C2' | H5 | 109.9° | 110.5° |
| C2' | C3' | H7 | 109.9° | 110.5° |
| C2' | C1' | O4' | 104.9° | 104.9° |
| C2' | C1' | N1 | 110.4° | 110.4° |
| C2' | C1' | H4 | 109.5° | 110.3° |
| C1' | C2' | H5 | 109.9° | 110.4° |
| C3' | C4' | C5' | 110.4° | 110.4° |
| C3' | C4' | O4' | 104.8° | 104.8° |
| C4' | C3' | H7 | 109.9° | 110.6° |
| C3' | C4' | H9 | 109.8° | 110.4° |
| C5' | C4' | O4' | 110.4° | 110.4° |
| C4' | C5' | N11 | 109.5° | 109.5° |
| C5' | C4' | H9 | 110.1° | 110.4° |
| C4' | C5' | H10 | 109.4° | 109.4° |
| C4' | C5' | H11 | 109.4° | 109.5° |
| C4' | O4' | C1' | 105.3° | 105.3° |
| O4' | C4' | H9 | 111.3° | 110.4° |
| C5' | N11 | C12 | 120.0° | 120.0° |
| N11 | C5' | H10 | 109.5° | 109.5° |
| N11 | C5' | H11 | 109.5° | 109.5° |
| C5' | N11 | H12 | 120.0° | 120.0° |
| O13 | C12 | N11 | 120.0° | 120.0° |
| O13 | C12 | C14 | 120.0° | 120.0° |
| O4' | C1' | N1 | 110.4° | 110.4° |
| O4' | C1' | H4 | 110.9° | 110.4° |
| C1' | N1 | C2 | 119.7° | 119.7° |
| C1' | N1 | C6 | 119.6° | 119.6° |
| N1 | C1' | H4 | 110.6° | 110.3° |
| O2 | C2 | N1 | 119.5° | 119.5° |
| O2 | C2 | N3 | 119.6° | 119.6° |
| N11 | C12 | C14 | 120.0° | 120.0° |
| C12 | N11 | H12 | 120.0° | 120.0° |
| C12 | C14 | N19 | 119.7° | 119.7° |
| C12 | C14 | C15 | 119.7° | 119.7° |
| O1' | C20 | C18 | 109.5° | 109.5° |
| O1' | C20 | H16 | 109.5° | 109.4° |
| O1' | C20 | H17 | 109.4° | 109.5° |
| C20 | O1' | C11 | 114.0° | 114.0° |
| C2 | N1 | C6 | 120.6° | 120.6° |
| N1 | C2 | N3 | 120.9° | 120.9° |
| N1 | C6 | C5 | 119.7° | 119.7° |
| N1 | C6 | H3 | 120.1° | 120.2° |
| C2 | N3 | C4 | 120.3° | 120.3° |
| C2 | N3 | H1 | 119.9° | 119.9° |
| C14 | N19 | C18 | 121.6° | 121.6° |
| N19 | C14 | C15 | 120.6° | 120.6° |
| N19 | C18 | C20 | 119.5° | 119.5° |
| N19 | C18 | C17 | 120.9° | 120.9° |
| C14 | C15 | C16 | 119.0° | 119.0° |
| C14 | C15 | H13 | 120.5° | 120.5° |
| C6 | C5 | C4 | 119.1° | 119.1° |
| C6 | C5 | H2 | 120.4° | 120.5° |
| C5 | C6 | H3 | 120.2° | 120.1° |
| C20 | C18 | C17 | 119.5° | 119.5° |
| C18 | C20 | H16 | 109.4° | 109.5° |
| C18 | C20 | H17 | 109.5° | 109.5° |
| N3 | C4 | C5 | 119.4° | 119.4° |
| N3 | C4 | O4 | 120.3° | 120.3° |
| C4 | N3 | H1 | 119.9° | 119.8° |
| C18 | C17 | C16 | 119.3° | 119.3° |
| C18 | C17 | H15 | 120.3° | 120.3° |
| C15 | C16 | C17 | 118.5° | 118.5° |
| C16 | C15 | H13 | 120.5° | 120.5° |
| C15 | C16 | H14 | 120.7° | 120.7° |
| C5 | C4 | O4 | 120.3° | 120.3° |
| C4 | C5 | H2 | 120.4° | 120.4° |
| C17 | C16 | H14 | 120.8° | 120.8° |
| C16 | C17 | H15 | 120.3° | 120.3° |
| H10 | C5' | H11 | 109.5° | 109.5° |
| H16 | C20 | H17 | 109.5° | 109.4° |
| O1' | C11 | C22 | 109.5° | 109.5° |
| O1' | C11 | O66 | 109.5° | 109.5° |
| O1' | C11 | H18 | 109.9° | 109.5° |
| C11 | C22 | C33 | 109.1° | 109.1° |
| C22 | C11 | O66 | 109.4° | 109.4° |
| C22 | C11 | H18 | 108.6° | 109.5° |
| C11 | C22 | H19 | 109.1° | 109.5° |
| C11 | C22 | O73 | 109.5° | 109.5° |
| C22 | C33 | C44 | 109.1° | 109.1° |
| C33 | C22 | H19 | 109.1° | 109.6° |
| C22 | C33 | H21 | 109.1° | 109.5° |
| C22 | C33 | O72 | 109.5° | 109.5° |
| C33 | C22 | O73 | 109.5° | 109.5° |
| C33 | C44 | C55 | 109.1° | 109.1° |
| C44 | C33 | H21 | 109.1° | 109.6° |
| C33 | C44 | H23 | 109.0° | 109.5° |
| C33 | C44 | O71 | 109.5° | 109.5° |
| C44 | C33 | O72 | 109.5° | 109.5° |
| C44 | C55 | O66 | 109.4° | 109.4° |
| C55 | C44 | H23 | 109.1° | 109.5° |
| C44 | C55 | H25 | 109.0° | 109.5° |
| C44 | C55 | C77 | 109.5° | 109.5° |
| C55 | C44 | O71 | 109.6° | 109.6° |
| C55 | O66 | C11 | 114.1° | 114.1° |
| O66 | C55 | H25 | 110.4° | 109.5° |
| O66 | C55 | C77 | 109.5° | 109.5° |
| O66 | C11 | H18 | 110.0° | 109.5° |
| H19 | C22 | O73 | 110.5° | 109.6° |
| H21 | C33 | O72 | 110.5° | 109.6° |
| H23 | C44 | O71 | 110.5° | 109.6° |
| H25 | C55 | C77 | 109.0° | 109.5° |
| C55 | C77 | O70 | 109.4° | 109.4° |
| C55 | C77 | H26 | 109.5° | 109.4° |
| C55 | C77 | H27 | 109.5° | 109.5° |
| O70 | C77 | H26 | 109.5° | 109.6° |
| O70 | C77 | H27 | 109.5° | 109.5° |
| C77 | O70 | H28 | 109.5° | 114.0° |
| H26 | C77 | H27 | 109.5° | 109.5° |
| C44 | O71 | H20 | 109.5° | 114.0° |
| C33 | O72 | H22 | 109.5° | 114.0° |
| C22 | O73 | H24 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2' | C2' | C3' | O3' | 0.1° | 0.1° |
| O2' | C2' | C3' | C1' | 118.7° | 118.7° |
| O2' | C2' | C3' | H5 | 123.6° | 122.7° |
| O2' | C2' | C1' | H5 | 123.7° | 122.7° |
| O2' | C2' | C3' | C4' | 118.7° | 118.7° |
| O2' | C2' | C1' | O4' | 142.6° | 142.6° |
| O2' | C2' | C1' | N1 | 98.5° | 98.5° |
| O2' | C2' | C1' | H4 | 23.5° | 23.7° |
| O2' | C2' | C3' | H7 | 123.7° | 122.6° |
| O3' | C3' | C2' | C4' | 118.8° | 118.8° |
| O3' | C3' | C2' | H7 | 123.6° | 122.5° |
| O3' | C3' | C2' | C1' | 118.8° | 118.8° |
| O3' | C3' | C4' | H7 | 123.7° | 122.7° |
| O3' | C3' | C4' | C5' | 98.5° | 98.5° |
| O3' | C3' | C4' | O4' | 142.6° | 142.6° |
| O3' | C3' | C2' | H5 | 123.5° | 122.6° |
| O3' | C3' | C4' | H9 | 23.0° | 23.7° |
| C3' | C2' | C1' | H5 | 117.7° | 118.6° |
| C2' | C3' | C4' | H7 | 117.6° | 118.6° |
| C2' | C3' | C4' | C5' | 142.8° | 142.8° |
| C2' | C3' | C4' | O4' | 23.9° | 23.9° |
| C3' | C2' | C1' | O4' | 23.9° | 23.9° |
| C3' | C2' | C1' | N1 | 142.8° | 142.8° |
| C3' | C2' | C1' | H4 | 95.2° | 95.0° |
| C3' | C2' | O2' | H6 | 180.0° | 61.4° |
| C2' | C3' | O3' | H8 | 180.0° | 61.4° |
| C2' | C3' | C4' | H9 | 95.7° | 94.9° |
| C1' | C2' | C3' | C4' | 0.1° | 0.1° |
| C2' | C1' | O4' | C4' | 40.4° | 40.4° |
| C2' | C1' | O4' | N1 | 118.9° | 118.9° |
| C2' | C1' | O4' | H4 | 118.1° | 118.9° |
| C2' | C1' | N1 | H4 | 121.3° | 122.2° |
| C2' | C1' | N1 | C2 | 116.5° | 116.5° |
| C2' | C1' | N1 | C6 | 63.2° | 63.2° |
| C1' | C2' | O2' | H6 | 65.3° | 176.1° |
| C1' | C2' | C3' | H7 | 117.6° | 118.6° |
| C3' | C4' | C5' | O4' | 115.4° | 115.4° |
| C3' | C4' | C5' | H9 | 121.4° | 122.3° |
| C3' | C4' | O4' | H9 | 118.6° | 118.8° |
| C3' | C4' | C5' | N11 | 175.0° | 175.0° |
| C3' | C4' | O4' | C1' | 40.4° | 40.4° |
| C4' | C3' | C2' | H5 | 117.7° | 118.6° |
| C4' | C3' | O3' | H8 | 65.3° | 176.1° |
| C3' | C4' | C5' | H10 | 55.0° | 55.0° |
| C3' | C4' | C5' | H11 | 65.0° | 65.0° |
| C5' | C4' | O4' | H9 | 122.5° | 122.3° |
| C4' | C5' | N11 | H10 | 120.0° | 120.0° |
| C4' | C5' | N11 | H11 | 120.0° | 120.0° |
| C5' | C4' | O4' | C1' | 159.3° | 159.3° |
| C4' | C5' | N11 | C12 | 180.0° | 180.0° |
| C5' | C4' | C3' | H7 | 25.2° | 24.2° |
| C4' | C5' | H10 | H11 | 120.0° | 120.0° |
| C4' | C5' | N11 | H12 | 0.0° | 0.0° |
| O4' | C4' | C5' | N11 | 69.6° | 69.6° |
| C4' | O4' | C1' | N1 | 159.3° | 159.3° |
| C4' | O4' | C1' | H4 | 77.7° | 78.5° |
| O4' | C4' | C3' | H7 | 93.7° | 94.7° |
| O4' | C4' | C5' | H10 | 170.4° | 170.4° |
| O4' | C4' | C5' | H11 | 50.4° | 50.4° |
| C5' | N11 | C12 | O13 | 0.0° | 0.0° |
| C5' | N11 | C12 | H12 | 180.0° | 180.0° |
| C5' | N11 | C12 | C14 | 180.0° | 180.0° |
| N11 | C5' | C4' | H9 | 53.6° | 52.7° |
| N11 | C5' | H10 | H11 | 120.0° | 120.0° |
| O13 | C12 | N11 | C14 | 180.0° | 180.0° |
| O13 | C12 | C14 | N19 | 179.7° | 179.7° |
| O13 | C12 | C14 | C15 | 0.0° | 0.0° |
| O13 | C12 | N11 | H12 | 180.0° | 180.0° |
| O4' | C1' | N1 | H4 | 123.1° | 122.3° |
| O4' | C1' | N1 | C2 | 127.9° | 127.9° |
| O4' | C1' | N1 | C6 | 52.4° | 52.4° |
| O4' | C1' | C2' | H5 | 93.8° | 94.7° |
| C1' | O4' | C4' | H9 | 78.2° | 78.4° |
| C1' | N1 | C2 | O2 | 0.0° | 0.0° |
| C1' | N1 | C2 | C6 | 179.7° | 179.7° |
| C1' | N1 | C2 | N3 | 180.0° | 180.0° |
| C1' | N1 | C6 | C5 | 180.0° | 180.0° |
| C1' | N1 | C6 | H3 | 0.0° | 0.0° |
| N1 | C1' | C2' | H5 | 25.2° | 24.2° |
| O2 | C2 | N1 | N3 | 179.9° | 179.9° |
| O2 | C2 | N1 | C6 | 179.7° | 179.7° |
| O2 | C2 | N3 | C4 | 180.0° | 180.0° |
| O2 | C2 | N3 | H1 | 0.0° | 0.1° |
| N11 | C12 | C14 | N19 | 0.3° | 0.3° |
| N11 | C12 | C14 | C15 | 180.0° | 180.0° |
| C12 | N11 | C5' | H10 | 60.0° | 60.0° |
| C12 | N11 | C5' | H11 | 60.0° | 60.0° |
| C12 | C14 | N19 | C15 | 179.7° | 179.7° |
| C12 | C14 | N19 | C18 | 179.7° | 179.7° |
| C12 | C14 | C15 | C16 | 180.0° | 180.0° |
| C14 | C12 | N11 | H12 | 0.0° | 0.0° |
| C12 | C14 | C15 | H13 | 0.0° | 0.0° |
| O1' | C20 | C18 | N19 | 179.7° | 179.7° |
| O1' | C20 | C18 | H16 | 120.0° | 120.0° |
| O1' | C20 | C18 | H17 | 120.0° | 120.0° |
| O1' | C20 | C18 | C17 | 0.1° | 0.1° |
| O1' | C20 | H16 | H17 | 120.0° | 119.9° |
| C20 | O1' | C11 | C22 | 175.0° | 175.0° |
| C20 | O1' | C11 | O66 | 65.1° | 65.1° |
| C20 | O1' | C11 | H18 | 55.8° | 55.0° |
| C2 | N1 | C6 | C5 | 0.3° | 0.3° |
| N1 | C2 | N3 | C4 | 0.1° | 0.1° |
| N1 | C2 | N3 | H1 | 179.9° | 180.0° |
| C2 | N1 | C6 | H3 | 179.7° | 179.7° |
| C2 | N1 | C1' | H4 | 4.8° | 5.7° |
| C6 | N1 | C2 | N3 | 0.4° | 0.4° |
| N1 | C6 | C5 | H3 | 180.0° | 180.0° |
| N1 | C6 | C5 | C4 | 0.0° | 0.0° |
| N1 | C6 | C5 | H2 | 180.0° | 180.0° |
| C6 | N1 | C1' | H4 | 175.5° | 174.6° |
| C2 | N3 | C4 | H1 | 180.0° | 179.9° |
| C2 | N3 | C4 | C5 | 0.2° | 0.2° |
| C2 | N3 | C4 | O4 | 180.0° | 180.0° |
| C14 | N19 | C18 | C20 | 179.8° | 179.8° |
| C14 | N19 | C18 | C17 | 0.6° | 0.6° |
| N19 | C14 | C15 | C16 | 0.3° | 0.3° |
| N19 | C14 | C15 | H13 | 179.7° | 179.8° |
| C18 | N19 | C14 | C15 | 0.5° | 0.5° |
| N19 | C18 | C20 | C17 | 179.7° | 179.7° |
| N19 | C18 | C17 | C16 | 0.3° | 0.3° |
| N19 | C18 | C17 | H15 | 179.7° | 179.8° |
| N19 | C18 | C20 | H16 | 60.3° | 59.7° |
| N19 | C18 | C20 | H17 | 59.7° | 60.3° |
| C14 | C15 | C16 | H13 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.0° | 0.0° |
| C14 | C15 | C16 | H14 | 180.0° | 180.0° |
| C6 | C5 | C4 | N3 | 0.3° | 0.3° |
| C6 | C5 | C4 | H2 | 180.0° | 180.0° |
| C6 | C5 | C4 | O4 | 180.0° | 180.0° |
| C20 | C18 | C17 | C16 | 180.0° | 180.0° |
| C20 | C18 | C17 | H15 | 0.0° | 0.1° |
| C18 | C20 | H16 | H17 | 120.0° | 120.0° |
| C18 | C20 | O1' | C11 | 180.0° | 180.0° |
| N3 | C4 | C5 | O4 | 179.7° | 179.7° |
| N3 | C4 | C5 | H2 | 179.7° | 179.8° |
| C18 | C17 | C16 | C15 | 0.1° | 0.1° |
| C18 | C17 | C16 | H15 | 180.0° | 179.9° |
| C18 | C17 | C16 | H14 | 180.0° | 180.0° |
| C17 | C18 | C20 | H16 | 120.1° | 120.0° |
| C17 | C18 | C20 | H17 | 119.9° | 120.1° |
| C15 | C16 | C17 | H14 | 180.0° | 180.0° |
| C15 | C16 | C17 | H15 | 179.9° | 179.9° |
| C5 | C4 | N3 | H1 | 179.8° | 179.7° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| O4 | C4 | N3 | H1 | 0.1° | 0.0° |
| O4 | C4 | C5 | H2 | 0.0° | 0.0° |
| C17 | C16 | C15 | H13 | 180.0° | 180.0° |
| H2 | C5 | C6 | H3 | 0.1° | 0.0° |
| H4 | C1' | C2' | H5 | 147.2° | 146.4° |
| H5 | C2' | O2' | H6 | 57.3° | 61.3° |
| H5 | C2' | C3' | H7 | 0.1° | 0.1° |
| H7 | C3' | O3' | H8 | 57.4° | 61.1° |
| H7 | C3' | C4' | H9 | 146.7° | 146.4° |
| H9 | C4' | C5' | H10 | 66.4° | 67.3° |
| H9 | C4' | C5' | H11 | 173.6° | 172.8° |
| H10 | C5' | N11 | H12 | 120.0° | 120.0° |
| H11 | C5' | N11 | H12 | 120.0° | 120.1° |
| H13 | C15 | C16 | H14 | 0.0° | 0.0° |
| H14 | C16 | C17 | H15 | 0.0° | 0.1° |
| H16 | C20 | O1' | C11 | 60.0° | 60.0° |
| H17 | C20 | O1' | C11 | 60.0° | 59.9° |
| O1' | C11 | C22 | O66 | 119.9° | 119.9° |
| O1' | C11 | C22 | H18 | 120.0° | 120.1° |
| O1' | C11 | C22 | C33 | 177.6° | 177.6° |
| O1' | C11 | O66 | C55 | 178.9° | 178.9° |
| O1' | C11 | O66 | H18 | 120.9° | 120.1° |
| O1' | C11 | C22 | H19 | 63.3° | 62.5° |
| O1' | C11 | C22 | O73 | 57.7° | 57.7° |
| C11 | C22 | C33 | H19 | 119.1° | 119.9° |
| C11 | C22 | C33 | O73 | 119.9° | 119.9° |
| C11 | C22 | C33 | C44 | 57.0° | 57.0° |
| C22 | C11 | O66 | C55 | 61.2° | 61.2° |
| C22 | C11 | O66 | H18 | 119.2° | 120.0° |
| C11 | C22 | H19 | O73 | 120.4° | 120.1° |
| C11 | C22 | C33 | H21 | 62.1° | 62.9° |
| C11 | C22 | C33 | O72 | 176.9° | 176.9° |
| C11 | C22 | O73 | H24 | 180.0° | 60.1° |
| C22 | C33 | C44 | H21 | 119.1° | 119.9° |
| C22 | C33 | C44 | O72 | 119.9° | 119.9° |
| C22 | C33 | C44 | C55 | 57.0° | 57.0° |
| C33 | C22 | C11 | O66 | 57.6° | 57.6° |
| C33 | C22 | C11 | H18 | 62.4° | 62.4° |
| C33 | C22 | H19 | O73 | 120.5° | 120.2° |
| C22 | C33 | H21 | O72 | 120.5° | 120.2° |
| C22 | C33 | C44 | H23 | 176.1° | 176.9° |
| C22 | C33 | C44 | O71 | 62.9° | 62.9° |
| C22 | C33 | O72 | H22 | 180.0° | 60.0° |
| C33 | C22 | O73 | H24 | 60.4° | 179.7° |
| C33 | C44 | C55 | H23 | 119.0° | 119.9° |
| C33 | C44 | C55 | O71 | 119.9° | 119.9° |
| C33 | C44 | C55 | O66 | 57.6° | 57.6° |
| C44 | C33 | C22 | H19 | 176.1° | 176.9° |
| C44 | C33 | H21 | O72 | 120.5° | 120.2° |
| C33 | C44 | H23 | O71 | 120.4° | 120.1° |
| C33 | C44 | C55 | H25 | 63.2° | 62.3° |
| C33 | C44 | C55 | C77 | 177.6° | 177.6° |
| C44 | C33 | C22 | O73 | 62.9° | 62.9° |
| C33 | C44 | O71 | H20 | 180.0° | 60.0° |
| C44 | C33 | O72 | H22 | 60.4° | 179.5° |
| C44 | C55 | O66 | H25 | 120.0° | 120.0° |
| C44 | C55 | O66 | C77 | 120.0° | 120.0° |
| C44 | C55 | O66 | C11 | 61.2° | 61.2° |
| C55 | C44 | C33 | H21 | 62.1° | 62.9° |
| C55 | C44 | H23 | O71 | 120.5° | 120.2° |
| C44 | C55 | H25 | C77 | 119.5° | 120.1° |
| C44 | C55 | C77 | O70 | 175.0° | 175.0° |
| C44 | C55 | C77 | H26 | 55.0° | 55.0° |
| C44 | C55 | C77 | H27 | 65.0° | 65.0° |
| C55 | C44 | C33 | O72 | 176.9° | 176.9° |
| C55 | C44 | O71 | H20 | 60.3° | 179.7° |
| C55 | O66 | C11 | H18 | 58.0° | 58.8° |
| O66 | C55 | C44 | H23 | 176.6° | 177.5° |
| O66 | C55 | H25 | C77 | 120.3° | 120.0° |
| O66 | C55 | C77 | O70 | 65.0° | 65.0° |
| O66 | C55 | C77 | H26 | 175.0° | 174.9° |
| O66 | C55 | C77 | H27 | 54.9° | 54.9° |
| O66 | C55 | C44 | O71 | 62.3° | 62.3° |
| O66 | C11 | C22 | H19 | 176.7° | 177.6° |
| C11 | O66 | C55 | H25 | 58.8° | 58.8° |
| C11 | O66 | C55 | C77 | 178.8° | 178.8° |
| O66 | C11 | C22 | O73 | 62.3° | 62.3° |
| H18 | C11 | C22 | H19 | 56.7° | 57.6° |
| H18 | C11 | C22 | O73 | 177.7° | 177.7° |
| H19 | C22 | C33 | H21 | 57.0° | 57.0° |
| H19 | C22 | C33 | O72 | 64.0° | 63.2° |
| H19 | C22 | O73 | H24 | 59.8° | 60.0° |
| H21 | C33 | C44 | H23 | 57.0° | 57.0° |
| H21 | C33 | C44 | O71 | 178.0° | 177.2° |
| H21 | C33 | C22 | O73 | 178.1° | 177.2° |
| H21 | C33 | O72 | H22 | 59.8° | 60.2° |
| H23 | C44 | C55 | H25 | 55.8° | 57.5° |
| H23 | C44 | C55 | C77 | 63.4° | 62.5° |
| H23 | C44 | C33 | O72 | 64.1° | 63.2° |
| H23 | C44 | O71 | H20 | 59.9° | 60.1° |
| H25 | C55 | C77 | O70 | 55.8° | 55.0° |
| H25 | C55 | C77 | H26 | 64.1° | 65.1° |
| H25 | C55 | C77 | H27 | 175.8° | 175.0° |
| H25 | C55 | C44 | O71 | 176.9° | 177.8° |
| C55 | C77 | O70 | H26 | 120.0° | 120.0° |
| C55 | C77 | O70 | H27 | 120.0° | 120.0° |
| C55 | C77 | H26 | H27 | 120.0° | 120.0° |
| C55 | C77 | O70 | H28 | 180.0° | 180.0° |
| C77 | C55 | C44 | O71 | 57.7° | 57.7° |
| O70 | C77 | H26 | H27 | 120.0° | 120.1° |
| H26 | C77 | O70 | H28 | 60.0° | 60.0° |
| H27 | C77 | O70 | H28 | 60.0° | 60.0° |
| O71 | C44 | C33 | O72 | 56.9° | 56.9° |
| O72 | C33 | C22 | O73 | 57.0° | 57.0° |
