NCS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.36Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C1 | C12 | sing | 1.51Å | 1.47Å | |
| C2 | C3 | sing | 1.40Å | 1.36Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C3 | C7 | sing | 1.47Å | 1.45Å | |
| C4 | C5 | sing | 1.37Å | 1.36Å | Aromatic |
| C4 | C9 | sing | 1.51Å | 1.47Å | |
| C5 | C6 | doub | 1.39Å | 1.36Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C10 | sing | 1.52Å | 1.47Å | |
| C7 | C8 | doub | 1.32Å | 1.40Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | O9 | sing | 1.43Å | 1.41Å | |
| C9 | C13 | sing | 1.53Å | 1.53Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| C10 | C11 | sing | 1.55Å | 1.53Å | |
| C10 | C20 | sing | 1.56Å | 1.53Å | |
| C10 | H10 | sing | 1.09Å | 1.09Å | |
| C11 | C12 | sing | 1.54Å | 1.53Å | |
| C11 | O18 | sing | 1.46Å | 1.41Å | |
| C11 | H11 | sing | 1.09Å | 1.09Å | |
| C12 | O1' | sing | 1.43Å | 1.41Å | |
| C12 | H12 | sing | 1.09Å | 1.09Å | |
| C13 | O14 | sing | 1.46Å | 1.41Å | |
| C13 | C17 | sing | 1.54Å | 1.53Å | |
| C13 | H13 | sing | 1.09Å | 1.09Å | |
| O14 | C15 | sing | 1.34Å | 1.35Å | |
| C15 | O15 | doub | 1.21Å | 1.22Å | |
| C15 | O16 | sing | 1.34Å | 1.35Å | |
| O16 | C17 | sing | 1.46Å | 1.41Å | |
| C17 | H171 | sing | 1.09Å | 1.09Å | |
| C17 | H172 | sing | 1.09Å | 1.09Å | |
| O18 | C19 | sing | 1.35Å | 1.35Å | |
| C19 | O19 | doub | 1.21Å | 1.23Å | |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C20 | C21 | sing | 1.51Å | 1.53Å | |
| C20 | C25 | sing | 1.50Å | 1.51Å | |
| C21 | O21 | doub | 1.21Å | 1.23Å | |
| C21 | C22 | sing | 1.41Å | 1.46Å | |
| C22 | C23 | doub | 1.35Å | 1.38Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | sing | 1.46Å | 1.40Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | doub | 1.40Å | 1.42Å | Aromatic |
| C24 | C29 | sing | 1.40Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.37Å | 1.40Å | Aromatic |
| C26 | C27 | doub | 1.39Å | 1.38Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | O27 | sing | 1.36Å | 1.38Å | |
| C27 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| O27 | C31 | sing | 1.43Å | 1.41Å | |
| C28 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | C30 | sing | 1.51Å | 1.51Å | |
| C30 | H301 | sing | 1.09Å | 1.08Å | |
| C30 | H302 | sing | 1.09Å | 1.08Å | |
| C30 | H303 | sing | 1.09Å | 1.08Å | |
| C31 | H311 | sing | 1.09Å | 1.09Å | |
| C31 | H312 | sing | 1.09Å | 1.09Å | |
| C31 | H313 | sing | 1.09Å | 1.09Å | |
| O1' | C1' | sing | 1.43Å | 1.41Å | |
| C1' | C2' | sing | 1.53Å | 1.53Å | |
| C1' | O5' | sing | 1.43Å | 1.41Å | |
| C1' | H1' | sing | 1.09Å | 1.09Å | |
| C2' | N2' | sing | 1.47Å | 1.46Å | |
| C2' | C3' | sing | 1.53Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.09Å | |
| N2' | C2M | sing | 1.47Å | 1.46Å | |
| N2' | HN21 | sing | 1.01Å | 1.04Å | |
| N2' | HN22 | sing | 1.01Å | 1.04Å | |
| C2M | HM21 | sing | 1.09Å | 1.09Å | |
| C2M | HM22 | sing | 1.09Å | 1.09Å | |
| C2M | HM23 | sing | 1.09Å | 1.09Å | |
| C3' | O3' | sing | 1.43Å | 1.41Å | |
| C3' | C4' | sing | 1.53Å | 1.53Å | |
| C3' | H3' | sing | 1.09Å | 1.09Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | O4' | sing | 1.43Å | 1.41Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.09Å | |
| O4' | HO4' | sing | 0.97Å | 0.95Å | |
| C5' | C5M | sing | 1.53Å | 1.53Å | |
| C5' | O5' | sing | 1.43Å | 1.41Å | |
| C5' | H5' | sing | 1.09Å | 1.09Å | |
| C5M | HM51 | sing | 1.09Å | 1.09Å | |
| C5M | HM52 | sing | 1.09Å | 1.09Å | |
| C5M | HM53 | sing | 1.09Å | 1.09Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 122.3° | 120.1° |
| C2 | C1 | C12 | 126.2° | 130.1° |
| C1 | C2 | C3 | 118.1° | 120.2° |
| C1 | C2 | H2 | 120.3° | 119.9° |
| C6 | C1 | C12 | 111.6° | 109.8° |
| C1 | C6 | C5 | 119.8° | 120.0° |
| C1 | C6 | C10 | 109.4° | 110.3° |
| C1 | C12 | C11 | 102.3° | 105.9° |
| C1 | C12 | O1' | 109.7° | 110.1° |
| C1 | C12 | H12 | 110.5° | 110.2° |
| C3 | C2 | H2 | 121.6° | 119.8° |
| C2 | C3 | C4 | 119.4° | 119.1° |
| C2 | C3 | C7 | 132.2° | 132.1° |
| C4 | C3 | C7 | 108.4° | 108.8° |
| C3 | C4 | C5 | 122.7° | 120.4° |
| C3 | C4 | C9 | 113.1° | 106.3° |
| C3 | C7 | C8 | 105.3° | 111.1° |
| C3 | C7 | H7 | 127.5° | 124.4° |
| C5 | C4 | C9 | 124.2° | 133.3° |
| C4 | C5 | C6 | 117.7° | 120.2° |
| C4 | C5 | H5 | 120.8° | 119.9° |
| C4 | C9 | C8 | 98.9° | 105.5° |
| C4 | C9 | O9 | 110.2° | 110.3° |
| C4 | C9 | C13 | 113.3° | 110.2° |
| C6 | C5 | H5 | 121.6° | 119.9° |
| C5 | C6 | C10 | 130.8° | 129.7° |
| C6 | C10 | C11 | 103.4° | 105.2° |
| C6 | C10 | C20 | 115.8° | 108.0° |
| C6 | C10 | H10 | 110.1° | 113.2° |
| C8 | C7 | H7 | 127.2° | 124.5° |
| C7 | C8 | C9 | 114.2° | 108.2° |
| C7 | C8 | H8 | 124.1° | 125.9° |
| C9 | C8 | H8 | 121.6° | 125.9° |
| C8 | C9 | O9 | 108.3° | 110.3° |
| C8 | C9 | C13 | 112.9° | 110.2° |
| O9 | C9 | C13 | 112.5° | 110.3° |
| C9 | O9 | HO9 | 106.5° | 106.8° |
| C9 | C13 | O14 | 109.9° | 110.5° |
| C9 | C13 | C17 | 112.4° | 110.5° |
| C9 | C13 | H13 | 109.5° | 110.5° |
| C11 | C10 | C20 | 104.7° | 101.4° |
| C11 | C10 | H10 | 108.1° | 114.8° |
| C10 | C11 | C12 | 105.8° | 103.3° |
| C10 | C11 | O18 | 104.2° | 106.1° |
| C10 | C11 | H11 | 109.4° | 112.2° |
| C20 | C10 | H10 | 113.8° | 113.3° |
| C10 | C20 | C19 | 101.0° | 105.7° |
| C10 | C20 | C21 | 105.2° | 106.9° |
| C10 | C20 | C25 | 113.4° | 108.2° |
| C12 | C11 | O18 | 113.6° | 110.8° |
| C12 | C11 | H11 | 110.3° | 112.0° |
| C11 | C12 | O1' | 107.9° | 110.2° |
| C11 | C12 | H12 | 114.8° | 110.2° |
| O18 | C11 | H11 | 113.0° | 112.0° |
| C11 | O18 | C19 | 111.9° | 108.4° |
| O1' | C12 | H12 | 111.2° | 110.2° |
| C12 | O1' | C1' | 113.2° | 106.7° |
| O14 | C13 | C17 | 103.8° | 104.1° |
| O14 | C13 | H13 | 111.8° | 110.5° |
| C13 | O14 | C15 | 110.3° | 109.0° |
| C17 | C13 | H13 | 109.4° | 110.6° |
| C13 | C17 | O16 | 105.3° | 103.8° |
| C13 | C17 | H171 | 109.1° | 110.5° |
| C13 | C17 | H172 | 111.7° | 110.5° |
| O14 | C15 | O15 | 124.3° | 123.0° |
| O14 | C15 | O16 | 111.3° | 113.9° |
| O15 | C15 | O16 | 124.4° | 123.1° |
| C15 | O16 | C17 | 109.3° | 109.2° |
| O16 | C17 | H171 | 111.0° | 110.6° |
| O16 | C17 | H172 | 110.1° | 110.6° |
| H171 | C17 | H172 | 109.6° | 110.7° |
| O18 | C19 | O19 | 125.4° | 126.0° |
| O18 | C19 | C20 | 110.3° | 108.0° |
| O19 | C19 | C20 | 124.3° | 126.0° |
| C19 | C20 | C21 | 110.9° | 108.3° |
| C19 | C20 | C25 | 112.9° | 108.4° |
| C21 | C20 | C25 | 112.5° | 118.6° |
| C20 | C21 | O21 | 118.9° | 120.8° |
| C20 | C21 | C22 | 117.4° | 118.5° |
| C20 | C25 | C24 | 118.9° | 118.1° |
| C20 | C25 | C26 | 121.4° | 121.5° |
| O21 | C21 | C22 | 123.3° | 120.7° |
| C21 | C22 | C23 | 122.3° | 121.8° |
| C21 | C22 | H22 | 118.8° | 119.0° |
| C23 | C22 | H22 | 118.8° | 119.1° |
| C22 | C23 | C24 | 118.4° | 122.9° |
| C22 | C23 | H23 | 119.8° | 118.6° |
| C24 | C23 | H23 | 120.7° | 118.6° |
| C23 | C24 | C25 | 122.8° | 120.1° |
| C23 | C24 | C29 | 116.7° | 120.6° |
| C25 | C24 | C29 | 120.4° | 119.4° |
| C24 | C25 | C26 | 119.7° | 120.4° |
| C24 | C29 | C28 | 118.3° | 119.8° |
| C24 | C29 | C30 | 122.3° | 120.1° |
| C25 | C26 | C27 | 118.9° | 119.9° |
| C25 | C26 | H26 | 120.7° | 120.1° |
| C27 | C26 | H26 | 120.4° | 120.0° |
| C26 | C27 | O27 | 119.8° | 119.9° |
| C26 | C27 | C28 | 121.2° | 120.1° |
| O27 | C27 | C28 | 119.0° | 119.9° |
| C27 | O27 | C31 | 108.7° | 106.7° |
| C27 | C28 | C29 | 121.6° | 120.3° |
| C27 | C28 | H28 | 119.1° | 119.9° |
| O27 | C31 | H311 | 110.2° | 109.5° |
| O27 | C31 | H312 | 110.5° | 109.4° |
| O27 | C31 | H313 | 110.4° | 109.5° |
| C29 | C28 | H28 | 119.3° | 119.8° |
| C28 | C29 | C30 | 119.4° | 120.1° |
| C29 | C30 | H301 | 109.4° | 109.5° |
| C29 | C30 | H302 | 109.4° | 109.5° |
| C29 | C30 | H303 | 110.2° | 109.5° |
| H301 | C30 | H302 | 109.4° | 109.5° |
| H301 | C30 | H303 | 108.9° | 109.5° |
| H302 | C30 | H303 | 109.5° | 109.4° |
| H311 | C31 | H312 | 108.7° | 109.5° |
| H311 | C31 | H313 | 108.5° | 109.5° |
| H312 | C31 | H313 | 108.5° | 109.4° |
| O1' | C1' | C2' | 108.0° | 109.2° |
| O1' | C1' | O5' | 108.3° | 109.4° |
| O1' | C1' | H1' | 110.3° | 109.4° |
| C2' | C1' | O5' | 111.0° | 109.8° |
| C2' | C1' | H1' | 109.4° | 109.5° |
| C1' | C2' | N2' | 112.7° | 109.5° |
| C1' | C2' | C3' | 107.5° | 109.1° |
| C1' | C2' | H2' | 107.8° | 109.5° |
| O5' | C1' | H1' | 109.9° | 109.4° |
| C1' | O5' | C5' | 113.3° | 107.7° |
| N2' | C2' | C3' | 111.2° | 109.6° |
| N2' | C2' | H2' | 107.3° | 109.6° |
| C2' | N2' | C2M | 110.2° | 109.5° |
| C2' | N2' | HN21 | 109.6° | 109.5° |
| C2' | N2' | HN22 | 109.6° | 109.4° |
| C3' | C2' | H2' | 110.2° | 109.6° |
| C2' | C3' | O3' | 110.0° | 109.6° |
| C2' | C3' | C4' | 108.7° | 108.7° |
| C2' | C3' | H3' | 110.8° | 109.6° |
| C2M | N2' | HN21 | 109.4° | 109.5° |
| C2M | N2' | HN22 | 108.9° | 109.4° |
| N2' | C2M | HM21 | 109.4° | 109.5° |
| N2' | C2M | HM22 | 109.7° | 109.4° |
| N2' | C2M | HM23 | 109.6° | 109.5° |
| HN21 | N2' | HN22 | 109.1° | 109.4° |
| HM21 | C2M | HM22 | 109.2° | 109.4° |
| HM21 | C2M | HM23 | 109.2° | 109.5° |
| HM22 | C2M | HM23 | 109.7° | 109.4° |
| O3' | C3' | C4' | 111.8° | 109.7° |
| O3' | C3' | H3' | 108.6° | 109.6° |
| C3' | O3' | HO3' | 106.5° | 106.8° |
| C4' | C3' | H3' | 106.9° | 109.6° |
| C3' | C4' | O4' | 110.6° | 109.6° |
| C3' | C4' | C5' | 104.8° | 109.0° |
| C3' | C4' | H4' | 111.1° | 109.5° |
| O4' | C4' | C5' | 111.5° | 109.6° |
| O4' | C4' | H4' | 108.7° | 109.6° |
| C4' | O4' | HO4' | 106.5° | 106.8° |
| C5' | C4' | H4' | 110.1° | 109.5° |
| C4' | C5' | C5M | 111.7° | 109.4° |
| C4' | C5' | O5' | 107.5° | 109.8° |
| C4' | C5' | H5' | 108.2° | 109.4° |
| C5M | C5' | O5' | 109.5° | 109.3° |
| C5M | C5' | H5' | 108.7° | 109.4° |
| C5' | C5M | HM51 | 110.2° | 109.5° |
| C5' | C5M | HM52 | 110.3° | 109.5° |
| C5' | C5M | HM53 | 110.1° | 109.4° |
| O5' | C5' | H5' | 111.2° | 109.4° |
| HM51 | C5M | HM52 | 108.9° | 109.6° |
| HM51 | C5M | HM53 | 108.6° | 109.5° |
| HM52 | C5M | HM53 | 108.8° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C12 | 178.9° | 177.0° |
| C1 | C2 | C3 | H2 | 179.0° | 178.3° |
| C1 | C2 | C3 | C4 | 0.5° | 1.9° |
| C1 | C2 | C3 | C7 | 179.9° | 178.2° |
| C2 | C1 | C6 | C5 | 0.4° | 3.0° |
| C2 | C1 | C6 | C10 | 179.9° | 178.5° |
| C2 | C1 | C12 | C11 | 163.1° | 167.6° |
| C2 | C1 | C12 | O1' | 82.6° | 73.3° |
| C2 | C1 | C12 | H12 | 40.5° | 48.5° |
| C6 | C1 | C2 | C3 | 0.2° | 3.3° |
| C6 | C1 | C2 | H2 | 179.2° | 178.5° |
| C1 | C6 | C5 | C4 | 0.6° | 1.4° |
| C1 | C6 | C5 | C10 | 179.3° | 178.2° |
| C1 | C6 | C5 | H5 | 179.9° | 178.6° |
| C1 | C6 | C10 | C11 | 17.4° | 13.1° |
| C1 | C6 | C10 | C20 | 131.2° | 120.8° |
| C1 | C6 | C10 | H10 | 97.9° | 113.0° |
| C6 | C1 | C12 | C11 | 15.8° | 15.8° |
| C6 | C1 | C12 | O1' | 98.5° | 103.4° |
| C6 | C1 | C12 | H12 | 138.4° | 134.9° |
| C12 | C1 | C2 | C3 | 178.9° | 179.6° |
| C12 | C1 | C2 | H2 | 2.0° | 2.1° |
| C12 | C1 | C6 | C5 | 178.5° | 180.0° |
| C12 | C1 | C6 | C10 | 1.0° | 1.5° |
| C1 | C12 | C11 | C10 | 25.9° | 22.7° |
| C1 | C12 | C11 | O1' | 115.7° | 119.1° |
| C1 | C12 | C11 | H12 | 119.7° | 119.1° |
| C1 | C12 | C11 | O18 | 87.8° | 90.6° |
| C1 | C12 | C11 | H11 | 144.1° | 143.7° |
| C1 | C12 | O1' | H12 | 122.6° | 121.7° |
| C1 | C12 | O1' | C1' | 161.1° | 142.8° |
| C2 | C3 | C4 | C7 | 179.7° | 179.9° |
| C2 | C3 | C4 | C5 | 0.3° | 0.2° |
| C2 | C3 | C4 | C9 | 179.4° | 179.9° |
| C2 | C3 | C7 | C8 | 179.9° | 179.9° |
| C2 | C3 | C7 | H7 | 0.3° | 0.1° |
| H2 | C2 | C3 | C4 | 179.5° | 179.9° |
| H2 | C2 | C3 | C7 | 0.9° | 0.1° |
| C3 | C4 | C5 | C9 | 179.7° | 179.9° |
| C3 | C4 | C5 | C6 | 0.3° | 0.0° |
| C3 | C4 | C5 | H5 | 179.7° | 180.0° |
| C4 | C3 | C7 | C8 | 0.3° | 0.1° |
| C4 | C3 | C7 | H7 | 179.9° | 180.0° |
| C3 | C4 | C9 | C8 | 0.6° | 0.0° |
| C3 | C4 | C9 | O9 | 112.7° | 119.0° |
| C3 | C4 | C9 | C13 | 120.4° | 119.0° |
| C7 | C3 | C4 | C5 | 180.0° | 179.8° |
| C7 | C3 | C4 | C9 | 0.2° | 0.0° |
| C3 | C7 | C8 | H7 | 179.8° | 180.0° |
| C3 | C7 | C8 | C9 | 0.8° | 0.0° |
| C3 | C7 | C8 | H8 | 179.9° | 180.0° |
| C4 | C5 | C6 | H5 | 179.4° | 180.0° |
| C4 | C5 | C6 | C10 | 180.0° | 179.5° |
| C5 | C4 | C9 | C8 | 179.6° | 179.9° |
| C5 | C4 | C9 | O9 | 67.1° | 60.8° |
| C5 | C4 | C9 | C13 | 59.9° | 61.2° |
| C9 | C4 | C5 | C6 | 180.0° | 179.8° |
| C9 | C4 | C5 | H5 | 0.6° | 0.2° |
| C4 | C9 | C8 | C7 | 0.9° | 0.0° |
| C4 | C9 | C8 | O9 | 114.8° | 119.0° |
| C4 | C9 | C8 | C13 | 120.0° | 119.0° |
| C4 | C9 | C8 | H8 | 180.0° | 180.0° |
| C4 | C9 | O9 | C13 | 127.4° | 122.0° |
| C4 | C9 | O9 | HO9 | 70.3° | 63.4° |
| C4 | C9 | C13 | O14 | 161.6° | 65.9° |
| C4 | C9 | C13 | C17 | 46.5° | 179.5° |
| C4 | C9 | C13 | H13 | 75.3° | 56.8° |
| C5 | C6 | C10 | C11 | 162.0° | 165.1° |
| C5 | C6 | C10 | C20 | 48.2° | 57.5° |
| C5 | C6 | C10 | H10 | 82.7° | 68.7° |
| H5 | C5 | C6 | C10 | 0.6° | 0.5° |
| C6 | C10 | C11 | C20 | 121.7° | 112.4° |
| C6 | C10 | C11 | H10 | 116.7° | 125.1° |
| C6 | C10 | C20 | H10 | 129.0° | 126.2° |
| C6 | C10 | C11 | C12 | 26.8° | 21.7° |
| C6 | C10 | C11 | O18 | 93.3° | 94.9° |
| C6 | C10 | C11 | H11 | 145.6° | 142.6° |
| C6 | C10 | C20 | C19 | 90.0° | 110.8° |
| C6 | C10 | C20 | C21 | 154.5° | 134.0° |
| C6 | C10 | C20 | C25 | 31.0° | 5.2° |
| C7 | C8 | C9 | H8 | 179.2° | 179.9° |
| C7 | C8 | C9 | O9 | 113.9° | 119.0° |
| C7 | C8 | C9 | C13 | 120.9° | 119.0° |
| H7 | C7 | C8 | C9 | 179.5° | 180.0° |
| H7 | C7 | C8 | H8 | 0.3° | 0.1° |
| C8 | C9 | O9 | C13 | 125.5° | 121.9° |
| C8 | C9 | O9 | HO9 | 36.8° | 52.7° |
| C8 | C9 | C13 | O14 | 50.2° | 178.1° |
| C8 | C9 | C13 | C17 | 64.8° | 63.4° |
| C8 | C9 | C13 | H13 | 173.4° | 59.3° |
| H8 | C8 | C9 | O9 | 65.3° | 60.9° |
| H8 | C8 | C9 | C13 | 59.9° | 61.1° |
| O9 | C9 | C13 | O14 | 72.7° | 56.1° |
| O9 | C9 | C13 | C17 | 172.3° | 58.6° |
| O9 | C9 | C13 | H13 | 50.5° | 178.8° |
| C13 | C9 | O9 | HO9 | 162.3° | 174.7° |
| C9 | C13 | O14 | C17 | 120.4° | 118.7° |
| C9 | C13 | O14 | H13 | 121.8° | 122.6° |
| C9 | C13 | C17 | H13 | 121.8° | 122.6° |
| C9 | C13 | O14 | C15 | 121.6° | 118.6° |
| C9 | C13 | C17 | O16 | 120.2° | 118.6° |
| C9 | C13 | C17 | H171 | 120.6° | 122.8° |
| C9 | C13 | C17 | H172 | 0.7° | 0.0° |
| C11 | C10 | C20 | H10 | 117.9° | 123.5° |
| C10 | C11 | C12 | O18 | 113.7° | 113.3° |
| C10 | C11 | C12 | H11 | 118.2° | 121.0° |
| C10 | C11 | O18 | H11 | 118.7° | 122.7° |
| C10 | C11 | C12 | O1' | 89.8° | 96.4° |
| C10 | C11 | C12 | H12 | 145.6° | 141.8° |
| C10 | C11 | O18 | C19 | 22.8° | 32.1° |
| C11 | C10 | C20 | C19 | 23.1° | 0.5° |
| C11 | C10 | C20 | C21 | 92.4° | 115.7° |
| C11 | C10 | C20 | C25 | 144.1° | 115.4° |
| C20 | C10 | C11 | C12 | 148.5° | 134.1° |
| C20 | C10 | C11 | O18 | 28.4° | 17.5° |
| C20 | C10 | C11 | H11 | 92.7° | 105.0° |
| C10 | C20 | C19 | O18 | 10.6° | 20.1° |
| C10 | C20 | C19 | O19 | 168.1° | 159.8° |
| C10 | C20 | C19 | C21 | 111.2° | 114.3° |
| C10 | C20 | C19 | C25 | 121.5° | 115.8° |
| C10 | C20 | C21 | C25 | 124.0° | 122.6° |
| C10 | C20 | C21 | O21 | 75.6° | 57.3° |
| C10 | C20 | C21 | C22 | 97.3° | 122.8° |
| C10 | C20 | C25 | C24 | 93.5° | 122.0° |
| C10 | C20 | C25 | C26 | 84.6° | 57.9° |
| H10 | C10 | C11 | C12 | 89.9° | 103.4° |
| H10 | C10 | C11 | O18 | 150.1° | 140.0° |
| H10 | C10 | C11 | H11 | 28.9° | 17.5° |
| H10 | C10 | C20 | C19 | 140.9° | 123.0° |
| H10 | C10 | C20 | C21 | 25.4° | 7.8° |
| H10 | C10 | C20 | C25 | 98.0° | 121.0° |
| C12 | C11 | O18 | H11 | 126.7° | 125.8° |
| C11 | C12 | O1' | H12 | 126.7° | 121.8° |
| C12 | C11 | O18 | C19 | 137.4° | 143.6° |
| C11 | C12 | O1' | C1' | 88.1° | 100.7° |
| O18 | C11 | C12 | O1' | 156.5° | 150.4° |
| O18 | C11 | C12 | H12 | 31.9° | 28.6° |
| C11 | O18 | C19 | O19 | 173.5° | 147.2° |
| C11 | O18 | C19 | C20 | 7.8° | 32.7° |
| H11 | C11 | C12 | O1' | 28.4° | 24.6° |
| H11 | C11 | C12 | H12 | 96.2° | 97.2° |
| H11 | C11 | O18 | C19 | 95.9° | 90.6° |
| C12 | O1' | C1' | C2' | 172.2° | 168.6° |
| C12 | O1' | C1' | O5' | 51.9° | 71.2° |
| C12 | O1' | C1' | H1' | 68.4° | 48.7° |
| H12 | C12 | O1' | C1' | 38.5° | 21.1° |
| O14 | C13 | C17 | H13 | 119.5° | 118.7° |
| C13 | O14 | C15 | O15 | 179.7° | 179.9° |
| C13 | O14 | C15 | O16 | 0.4° | 0.1° |
| O14 | C13 | C17 | O16 | 1.6° | 0.1° |
| O14 | C13 | C17 | H171 | 120.8° | 118.5° |
| O14 | C13 | C17 | H172 | 118.0° | 118.7° |
| C17 | C13 | O14 | C15 | 1.2° | 0.1° |
| C13 | C17 | O16 | C15 | 1.4° | 0.0° |
| C13 | C17 | O16 | H171 | 117.9° | 118.5° |
| C13 | C17 | O16 | H172 | 120.6° | 118.6° |
| C13 | C17 | H171 | H172 | 122.6° | 122.7° |
| H13 | C13 | O14 | C15 | 116.6° | 118.8° |
| H13 | C13 | C17 | O16 | 117.9° | 118.7° |
| H13 | C13 | C17 | H171 | 1.3° | 0.2° |
| H13 | C13 | C17 | H172 | 122.5° | 122.6° |
| O14 | C15 | O15 | O16 | 179.9° | 179.9° |
| O14 | C15 | O16 | C17 | 0.7° | 0.1° |
| O15 | C15 | O16 | C17 | 179.2° | 180.0° |
| C15 | O16 | C17 | H171 | 119.2° | 118.5° |
| C15 | O16 | C17 | H172 | 119.2° | 118.5° |
| O16 | C17 | H171 | H172 | 121.9° | 122.9° |
| O18 | C19 | O19 | C20 | 178.5° | 180.0° |
| O18 | C19 | C20 | C21 | 100.6° | 134.4° |
| O18 | C19 | C20 | C25 | 132.0° | 95.7° |
| O19 | C19 | C20 | C21 | 80.7° | 45.6° |
| O19 | C19 | C20 | C25 | 46.7° | 84.4° |
| C19 | C20 | C21 | C25 | 127.5° | 124.0° |
| C19 | C20 | C21 | O21 | 32.9° | 56.2° |
| C19 | C20 | C21 | C22 | 154.2° | 123.8° |
| C19 | C20 | C25 | C24 | 152.4° | 123.9° |
| C19 | C20 | C25 | C26 | 29.6° | 56.2° |
| C20 | C21 | O21 | C22 | 172.5° | 180.0° |
| C20 | C21 | C22 | C23 | 7.5° | 0.2° |
| C20 | C21 | C22 | H22 | 176.1° | 179.8° |
| C21 | C20 | C25 | C24 | 25.9° | 0.0° |
| C21 | C20 | C25 | C26 | 156.1° | 179.8° |
| C25 | C20 | C21 | O21 | 160.4° | 179.8° |
| C25 | C20 | C21 | C22 | 26.7° | 0.2° |
| C20 | C25 | C24 | C23 | 5.3° | 0.1° |
| C20 | C25 | C24 | C26 | 178.1° | 179.9° |
| C20 | C25 | C24 | C29 | 178.0° | 179.8° |
| C20 | C25 | C26 | C27 | 179.0° | 179.9° |
| C20 | C25 | C26 | H26 | 1.9° | 0.2° |
| O21 | C21 | C22 | C23 | 180.0° | 179.8° |
| O21 | C21 | C22 | H22 | 3.6° | 0.2° |
| C21 | C22 | C23 | H22 | 176.4° | 180.0° |
| C21 | C22 | C23 | C24 | 14.8° | 0.0° |
| C21 | C22 | C23 | H23 | 177.1° | 179.9° |
| C22 | C23 | C24 | H23 | 168.0° | 179.9° |
| C22 | C23 | C24 | C25 | 16.2° | 0.2° |
| C22 | C23 | C24 | C29 | 160.6° | 179.8° |
| H22 | C22 | C23 | C24 | 161.6° | 180.0° |
| H22 | C22 | C23 | H23 | 6.5° | 0.1° |
| C23 | C24 | C25 | C29 | 176.7° | 179.9° |
| C23 | C24 | C25 | C26 | 176.6° | 180.0° |
| C23 | C24 | C29 | C28 | 175.8° | 180.0° |
| C23 | C24 | C29 | C30 | 3.7° | 0.0° |
| H23 | C23 | C24 | C25 | 175.8° | 179.7° |
| H23 | C23 | C24 | C29 | 7.4° | 0.3° |
| C24 | C25 | C26 | C27 | 1.0° | 0.0° |
| C24 | C25 | C26 | H26 | 179.9° | 179.9° |
| C25 | C24 | C29 | C28 | 1.0° | 0.0° |
| C25 | C24 | C29 | C30 | 179.4° | 179.9° |
| C29 | C24 | C25 | C26 | 0.0° | 0.0° |
| C24 | C29 | C28 | C27 | 1.1° | 0.0° |
| C24 | C29 | C28 | C30 | 179.6° | 180.0° |
| C24 | C29 | C28 | H28 | 178.9° | 179.9° |
| C24 | C29 | C30 | H301 | 150.9° | 90.0° |
| C24 | C29 | C30 | H302 | 89.3° | 150.0° |
| C24 | C29 | C30 | H303 | 31.2° | 30.0° |
| C25 | C26 | C27 | H26 | 179.1° | 179.9° |
| C25 | C26 | C27 | O27 | 179.2° | 180.0° |
| C25 | C26 | C27 | C28 | 1.0° | 0.1° |
| C26 | C27 | O27 | C28 | 179.8° | 179.9° |
| C26 | C27 | O27 | C31 | 76.1° | 5.6° |
| C26 | C27 | C28 | C29 | 0.0° | 0.1° |
| C26 | C27 | C28 | H28 | 179.9° | 180.0° |
| H26 | C26 | C27 | O27 | 0.1° | 0.1° |
| H26 | C26 | C27 | C28 | 179.9° | 180.0° |
| O27 | C27 | C28 | C29 | 179.8° | 180.0° |
| O27 | C27 | C28 | H28 | 0.3° | 0.1° |
| C27 | O27 | C31 | H311 | 177.8° | 65.5° |
| C27 | O27 | C31 | H312 | 62.2° | 174.5° |
| C27 | O27 | C31 | H313 | 57.9° | 54.6° |
| C28 | C27 | O27 | C31 | 104.1° | 174.5° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 179.4° | 180.0° |
| O27 | C31 | H311 | H312 | 121.2° | 120.0° |
| O27 | C31 | H311 | H313 | 121.0° | 120.1° |
| O27 | C31 | H312 | H313 | 121.2° | 120.0° |
| C28 | C29 | C30 | H301 | 29.5° | 90.0° |
| C28 | C29 | C30 | H302 | 90.3° | 30.0° |
| C28 | C29 | C30 | H303 | 149.3° | 150.0° |
| H28 | C28 | C29 | C30 | 0.7° | 0.1° |
| C29 | C30 | H301 | H302 | 119.8° | 120.0° |
| C29 | C30 | H301 | H303 | 120.5° | 120.0° |
| C29 | C30 | H302 | H303 | 120.8° | 120.0° |
| H301 | C30 | H302 | H303 | 119.3° | 120.0° |
| H311 | C31 | H312 | H313 | 117.8° | 120.0° |
| O1' | C1' | C2' | O5' | 118.5° | 119.9° |
| O1' | C1' | C2' | H1' | 120.0° | 119.8° |
| O1' | C1' | O5' | H1' | 120.5° | 119.9° |
| O1' | C1' | C2' | N2' | 58.7° | 61.0° |
| O1' | C1' | C2' | C3' | 64.2° | 58.9° |
| O1' | C1' | C2' | H2' | 177.0° | 178.8° |
| O1' | C1' | O5' | C5' | 58.0° | 52.4° |
| C2' | C1' | O5' | H1' | 121.2° | 120.3° |
| C1' | C2' | N2' | C3' | 120.8° | 119.6° |
| C1' | C2' | N2' | H2' | 118.5° | 120.1° |
| C1' | C2' | C3' | H2' | 117.2° | 119.9° |
| C1' | C2' | N2' | C2M | 29.0° | 65.2° |
| C1' | C2' | N2' | HN21 | 149.4° | 54.9° |
| C1' | C2' | N2' | HN22 | 90.8° | 174.8° |
| C1' | C2' | C3' | O3' | 179.2° | 173.5° |
| C1' | C2' | C3' | C4' | 58.1° | 53.7° |
| C1' | C2' | C3' | H3' | 59.2° | 66.1° |
| C2' | C1' | O5' | C5' | 60.3° | 67.4° |
| O5' | C1' | C2' | N2' | 177.3° | 179.0° |
| O5' | C1' | C2' | C3' | 54.3° | 61.1° |
| O5' | C1' | C2' | H2' | 64.5° | 58.8° |
| C1' | O5' | C5' | C4' | 66.0° | 67.6° |
| C1' | O5' | C5' | C5M | 172.5° | 172.4° |
| C1' | O5' | C5' | H5' | 52.3° | 52.6° |
| H1' | C1' | C2' | N2' | 61.2° | 58.8° |
| H1' | C1' | C2' | C3' | 175.8° | 178.7° |
| H1' | C1' | C2' | H2' | 57.0° | 61.4° |
| H1' | C1' | O5' | C5' | 178.5° | 172.3° |
| N2' | C2' | C3' | H2' | 118.9° | 120.3° |
| C2' | N2' | C2M | HN21 | 120.6° | 120.1° |
| C2' | N2' | C2M | HN22 | 120.2° | 119.9° |
| C2' | N2' | HN21 | HN22 | 120.0° | 120.0° |
| C2' | N2' | C2M | HM21 | 69.6° | 180.0° |
| C2' | N2' | C2M | HM22 | 170.6° | 60.0° |
| C2' | N2' | C2M | HM23 | 50.1° | 59.9° |
| N2' | C2' | C3' | O3' | 55.4° | 66.6° |
| N2' | C2' | C3' | C4' | 178.1° | 173.6° |
| N2' | C2' | C3' | H3' | 64.7° | 53.8° |
| C3' | C2' | N2' | C2M | 149.8° | 175.2° |
| C3' | C2' | N2' | HN21 | 89.7° | 64.7° |
| C3' | C2' | N2' | HN22 | 30.0° | 55.2° |
| C2' | C3' | O3' | C4' | 120.8° | 119.2° |
| C2' | C3' | O3' | H3' | 121.4° | 120.3° |
| C2' | C3' | C4' | H3' | 119.7° | 119.8° |
| C2' | C3' | O3' | HO3' | 76.6° | 180.0° |
| C2' | C3' | C4' | O4' | 56.5° | 66.2° |
| C2' | C3' | C4' | C5' | 63.8° | 53.8° |
| C2' | C3' | C4' | H4' | 177.4° | 173.6° |
| H2' | C2' | N2' | C2M | 89.5° | 54.9° |
| H2' | C2' | N2' | HN21 | 31.0° | 175.0° |
| H2' | C2' | N2' | HN22 | 150.7° | 65.0° |
| H2' | C2' | C3' | O3' | 63.6° | 53.7° |
| H2' | C2' | C3' | C4' | 59.1° | 66.2° |
| H2' | C2' | C3' | H3' | 176.4° | 174.0° |
| C2M | N2' | HN21 | HN22 | 119.1° | 120.0° |
| N2' | C2M | HM21 | HM22 | 120.0° | 120.0° |
| N2' | C2M | HM21 | HM23 | 119.9° | 120.1° |
| N2' | C2M | HM22 | HM23 | 120.4° | 120.0° |
| HN21 | N2' | C2M | HM21 | 169.8° | 59.9° |
| HN21 | N2' | C2M | HM22 | 50.0° | 60.1° |
| HN21 | N2' | C2M | HM23 | 70.5° | 180.0° |
| HN22 | N2' | C2M | HM21 | 50.6° | 60.0° |
| HN22 | N2' | C2M | HM22 | 69.2° | 180.0° |
| HN22 | N2' | C2M | HM23 | 170.3° | 60.0° |
| HM21 | C2M | HM22 | HM23 | 119.7° | 120.0° |
| O3' | C3' | C4' | H3' | 118.7° | 120.5° |
| O3' | C3' | C4' | O4' | 65.0° | 53.6° |
| O3' | C3' | C4' | C5' | 174.7° | 173.5° |
| O3' | C3' | C4' | H4' | 55.8° | 66.7° |
| C4' | C3' | O3' | HO3' | 162.6° | 60.8° |
| C3' | C4' | O4' | C5' | 116.2° | 119.6° |
| C3' | C4' | O4' | H4' | 122.2° | 120.2° |
| C3' | C4' | C5' | H4' | 119.5° | 119.8° |
| C3' | C4' | O4' | HO4' | 58.2° | 180.0° |
| C3' | C4' | C5' | C5M | 174.2° | 178.7° |
| C3' | C4' | C5' | O5' | 65.7° | 61.3° |
| C3' | C4' | C5' | H5' | 54.5° | 58.8° |
| H3' | C3' | O3' | HO3' | 44.9° | 59.7° |
| H3' | C3' | C4' | O4' | 176.2° | 174.0° |
| H3' | C3' | C4' | C5' | 55.9° | 66.0° |
| H3' | C3' | C4' | H4' | 62.9° | 53.8° |
| O4' | C4' | C5' | H4' | 120.7° | 120.3° |
| O4' | C4' | C5' | C5M | 66.1° | 61.4° |
| O4' | C4' | C5' | O5' | 54.1° | 58.6° |
| O4' | C4' | C5' | H5' | 174.3° | 178.7° |
| C5' | C4' | O4' | HO4' | 174.4° | 60.5° |
| C4' | C5' | C5M | O5' | 119.0° | 120.3° |
| C4' | C5' | C5M | H5' | 119.4° | 119.9° |
| C4' | C5' | O5' | H5' | 118.3° | 120.1° |
| C4' | C5' | C5M | HM51 | 176.0° | 66.4° |
| C4' | C5' | C5M | HM52 | 63.8° | 173.5° |
| C4' | C5' | C5M | HM53 | 56.2° | 53.6° |
| H4' | C4' | O4' | HO4' | 64.0° | 59.8° |
| H4' | C4' | C5' | C5M | 54.6° | 58.9° |
| H4' | C4' | C5' | O5' | 174.8° | 178.9° |
| H4' | C4' | C5' | H5' | 65.0° | 61.0° |
| C5M | C5' | O5' | H5' | 120.2° | 119.8° |
| C5' | C5M | HM51 | HM52 | 121.0° | 120.1° |
| C5' | C5M | HM51 | HM53 | 120.7° | 119.9° |
| C5' | C5M | HM52 | HM53 | 120.9° | 119.9° |
| O5' | C5' | C5M | HM51 | 65.1° | 53.9° |
| O5' | C5' | C5M | HM52 | 55.1° | 66.2° |
| O5' | C5' | C5M | HM53 | 175.2° | 173.9° |
| H5' | C5' | C5M | HM51 | 56.6° | 173.7° |
| H5' | C5' | C5M | HM52 | 176.8° | 53.6° |
| H5' | C5' | C5M | HM53 | 63.1° | 66.3° |
| HM51 | C5M | HM52 | HM53 | 118.2° | 120.0° |
