RYK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.44Å | 1.44Å | |
| C1 | O2 | sing | 1.44Å | 1.44Å | |
| O1 | C3 | sing | 1.37Å | 1.38Å | |
| O2 | C2 | sing | 1.36Å | 1.37Å | |
| C11 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | C2 | doub | 1.39Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| O3 | C4 | sing | 1.36Å | 1.38Å | |
| C4 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C10 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C9 | C8 | sing | 1.51Å | 1.50Å | |
| C6 | C13 | sing | 1.53Å | 1.56Å | |
| C6 | N1 | sing | 1.47Å | 1.50Å | |
| C13 | C20 | sing | 1.51Å | 1.50Å | |
| C13 | O4 | sing | 1.44Å | 1.45Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C51 | C52 | sing | 1.53Å | 1.53Å | |
| C51 | N49 | sing | 1.46Å | 1.48Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| N1 | C7 | sing | 1.47Å | 1.47Å | |
| N1 | C12 | sing | 1.35Å | 1.48Å | |
| C20 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| O4 | C14 | sing | 1.44Å | 1.36Å | |
| N49 | C12 | sing | 1.35Å | 1.39Å | |
| C12 | O50 | doub | 1.22Å | 1.25Å | |
| C18 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.44Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| C17 | O7 | sing | 1.36Å | 1.38Å | |
| C16 | O6 | sing | 1.36Å | 1.40Å | |
| C21 | O7 | sing | 1.43Å | 1.42Å | |
| O6 | C48 | sing | 1.43Å | 1.43Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C48 | H20 | sing | 1.09Å | 1.10Å | |
| C48 | H21 | sing | 1.09Å | 1.10Å | |
| C48 | H22 | sing | 1.09Å | 1.10Å | |
| C51 | H23 | sing | 1.09Å | 1.10Å | |
| C51 | H24 | sing | 1.09Å | 1.10Å | |
| C52 | H25 | sing | 1.09Å | 1.10Å | |
| C52 | H26 | sing | 1.09Å | 1.10Å | |
| C52 | H27 | sing | 1.09Å | 1.10Å | |
| N49 | H28 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 108.6° | 103.7° |
| C1 | O1 | C3 | 102.7° | 105.5° |
| O1 | C1 | H13 | 109.7° | 110.6° |
| O1 | C1 | H14 | 109.7° | 110.6° |
| C1 | O2 | C2 | 101.1° | 105.5° |
| O2 | C1 | H13 | 109.7° | 110.6° |
| O2 | C1 | H14 | 109.7° | 110.6° |
| O1 | C3 | C2 | 108.8° | 108.7° |
| O1 | C3 | C4 | 130.5° | 131.8° |
| O2 | C2 | C3 | 112.5° | 108.6° |
| O2 | C2 | C10 | 126.4° | 131.7° |
| C11 | O3 | C4 | 116.5° | 117.0° |
| O3 | C11 | H4 | 109.5° | 109.5° |
| O3 | C11 | H5 | 109.5° | 109.4° |
| O3 | C11 | H6 | 109.5° | 109.4° |
| C2 | C3 | C4 | 120.7° | 119.6° |
| C3 | C2 | C10 | 121.1° | 119.6° |
| C3 | C4 | O3 | 122.5° | 119.8° |
| C3 | C4 | C5 | 119.4° | 120.5° |
| C2 | C10 | C9 | 119.1° | 120.8° |
| C2 | C10 | H11 | 120.5° | 119.6° |
| O3 | C4 | C5 | 118.1° | 119.8° |
| C4 | C5 | C9 | 118.6° | 119.9° |
| C4 | C5 | C6 | 120.2° | 117.7° |
| C10 | C9 | C5 | 121.2° | 119.6° |
| C10 | C9 | C8 | 115.6° | 117.5° |
| C9 | C10 | H11 | 120.5° | 119.7° |
| C9 | C5 | C6 | 121.2° | 122.3° |
| C5 | C9 | C8 | 123.2° | 122.9° |
| C5 | C6 | C13 | 102.6° | 109.4° |
| C5 | C6 | N1 | 110.8° | 109.7° |
| C5 | C6 | H3 | 108.2° | 109.4° |
| C9 | C8 | C7 | 114.9° | 110.9° |
| C9 | C8 | H9 | 108.1° | 109.2° |
| C9 | C8 | H10 | 108.1° | 109.2° |
| C13 | C6 | N1 | 118.5° | 109.4° |
| C6 | C13 | C20 | 114.0° | 110.1° |
| C6 | C13 | O4 | 112.0° | 110.3° |
| C13 | C6 | H3 | 107.8° | 109.4° |
| C6 | C13 | H12 | 108.5° | 110.1° |
| C6 | N1 | C7 | 119.3° | 117.4° |
| C6 | N1 | C12 | 126.1° | 121.3° |
| N1 | C6 | H3 | 108.5° | 109.4° |
| C20 | C13 | O4 | 103.1° | 106.0° |
| C13 | C20 | C19 | 132.0° | 132.7° |
| C13 | C20 | C15 | 106.5° | 107.2° |
| C20 | C13 | H12 | 109.2° | 110.1° |
| C13 | O4 | C14 | 108.2° | 104.8° |
| O4 | C13 | H12 | 109.9° | 110.1° |
| C8 | C7 | N1 | 111.0° | 107.9° |
| C8 | C7 | H7 | 109.1° | 109.8° |
| C8 | C7 | H8 | 109.1° | 109.7° |
| C7 | C8 | H9 | 108.1° | 109.2° |
| C7 | C8 | H10 | 108.1° | 109.1° |
| C52 | C51 | N49 | 108.1° | 109.5° |
| C52 | C51 | H23 | 109.8° | 109.5° |
| C52 | C51 | H24 | 109.8° | 109.4° |
| C51 | C52 | H25 | 109.5° | 109.4° |
| C51 | C52 | H26 | 109.4° | 109.5° |
| C51 | C52 | H27 | 109.4° | 109.5° |
| C51 | N49 | C12 | 128.8° | 120.0° |
| N49 | C51 | H23 | 109.8° | 109.5° |
| N49 | C51 | H24 | 109.8° | 109.5° |
| C51 | N49 | H28 | 115.6° | 120.0° |
| C20 | C19 | C18 | 118.8° | 120.1° |
| C19 | C20 | C15 | 121.4° | 120.1° |
| C20 | C19 | H16 | 120.6° | 119.9° |
| C19 | C18 | C17 | 119.7° | 120.1° |
| C19 | C18 | H15 | 120.1° | 120.0° |
| C18 | C19 | H16 | 120.6° | 120.0° |
| C7 | N1 | C12 | 114.7° | 121.3° |
| N1 | C7 | H7 | 109.1° | 109.8° |
| N1 | C7 | H8 | 109.1° | 109.8° |
| N1 | C12 | N49 | 124.8° | 120.0° |
| N1 | C12 | O50 | 118.3° | 120.1° |
| C20 | C15 | C14 | 109.0° | 107.3° |
| C20 | C15 | C16 | 121.0° | 120.1° |
| O4 | C14 | C15 | 106.8° | 106.0° |
| O4 | C14 | H1 | 110.1° | 110.2° |
| O4 | C14 | H2 | 110.1° | 110.1° |
| N49 | C12 | O50 | 116.9° | 120.0° |
| C12 | N49 | H28 | 115.6° | 120.0° |
| C18 | C17 | C16 | 120.8° | 119.9° |
| C18 | C17 | O7 | 123.0° | 120.1° |
| C17 | C18 | H15 | 120.1° | 120.0° |
| C14 | C15 | C16 | 130.0° | 132.7° |
| C15 | C14 | H1 | 110.1° | 110.1° |
| C15 | C14 | H2 | 110.1° | 110.1° |
| C15 | C16 | C17 | 118.2° | 119.8° |
| C15 | C16 | O6 | 120.2° | 120.1° |
| C16 | C17 | O7 | 116.1° | 120.0° |
| C17 | C16 | O6 | 121.7° | 120.1° |
| C17 | O7 | C21 | 120.0° | 117.0° |
| C16 | O6 | C48 | 118.4° | 117.0° |
| O7 | C21 | H17 | 109.5° | 109.5° |
| O7 | C21 | H18 | 109.5° | 109.5° |
| O7 | C21 | H19 | 109.4° | 109.5° |
| O6 | C48 | H20 | 109.5° | 109.5° |
| O6 | C48 | H21 | 109.5° | 109.5° |
| O6 | C48 | H22 | 109.4° | 109.4° |
| H1 | C14 | H2 | 109.5° | 110.2° |
| H4 | C11 | H5 | 109.5° | 109.5° |
| H4 | C11 | H6 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.4° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.7° |
| H9 | C8 | H10 | 109.5° | 109.2° |
| H13 | C1 | H14 | 109.5° | 110.6° |
| H17 | C21 | H18 | 109.5° | 109.4° |
| H17 | C21 | H19 | 109.5° | 109.5° |
| H18 | C21 | H19 | 109.5° | 109.5° |
| H20 | C48 | H21 | 109.4° | 109.5° |
| H20 | C48 | H22 | 109.5° | 109.4° |
| H21 | C48 | H22 | 109.5° | 109.5° |
| H23 | C51 | H24 | 109.5° | 109.4° |
| H25 | C52 | H26 | 109.5° | 109.4° |
| H25 | C52 | H27 | 109.5° | 109.5° |
| H26 | C52 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | H13 | 119.8° | 118.5° |
| O1 | C1 | O2 | H14 | 119.9° | 118.6° |
| O1 | C1 | O2 | C2 | 24.2° | 27.1° |
| C1 | O1 | C3 | C2 | 14.9° | 17.4° |
| C1 | O1 | C3 | C4 | 164.8° | 162.6° |
| O1 | C1 | H13 | H14 | 120.4° | 122.9° |
| O2 | C1 | O1 | C3 | 24.6° | 27.2° |
| C1 | O2 | C2 | C3 | 14.9° | 17.2° |
| C1 | O2 | C2 | C10 | 165.1° | 162.8° |
| O2 | C1 | H13 | H14 | 120.4° | 122.9° |
| O1 | C3 | C2 | O2 | 0.1° | 0.1° |
| O1 | C3 | C2 | C4 | 179.7° | 180.0° |
| O1 | C3 | C2 | C10 | 180.0° | 179.9° |
| O1 | C3 | C4 | O3 | 0.4° | 0.4° |
| O1 | C3 | C4 | C5 | 179.8° | 179.9° |
| C3 | O1 | C1 | H13 | 144.5° | 145.7° |
| C3 | O1 | C1 | H14 | 95.3° | 91.4° |
| O2 | C2 | C3 | C10 | 180.0° | 179.9° |
| O2 | C2 | C3 | C4 | 179.8° | 179.9° |
| O2 | C2 | C10 | C9 | 179.8° | 180.0° |
| O2 | C2 | C10 | H11 | 0.2° | 0.1° |
| C2 | O2 | C1 | H13 | 144.0° | 145.7° |
| C2 | O2 | C1 | H14 | 95.7° | 91.4° |
| C11 | O3 | C4 | C3 | 48.9° | 84.6° |
| C11 | O3 | C4 | C5 | 130.5° | 95.1° |
| O3 | C11 | H4 | H5 | 120.0° | 120.0° |
| O3 | C11 | H4 | H6 | 120.0° | 120.0° |
| O3 | C11 | H5 | H6 | 120.0° | 119.9° |
| C2 | C3 | C4 | O3 | 180.0° | 179.7° |
| C2 | C3 | C4 | C5 | 0.6° | 0.0° |
| C3 | C2 | C10 | C9 | 0.2° | 0.0° |
| C3 | C2 | C10 | H11 | 179.8° | 179.9° |
| C4 | C3 | C2 | C10 | 0.3° | 0.2° |
| C3 | C4 | O3 | C5 | 179.4° | 179.7° |
| C3 | C4 | C5 | C9 | 0.9° | 0.5° |
| C3 | C4 | C5 | C6 | 179.4° | 178.9° |
| C2 | C10 | C9 | H11 | 180.0° | 179.9° |
| C2 | C10 | C9 | C5 | 0.5° | 0.4° |
| C2 | C10 | C9 | C8 | 180.0° | 179.4° |
| O3 | C4 | C5 | C9 | 179.7° | 179.3° |
| O3 | C4 | C5 | C6 | 1.1° | 1.3° |
| C4 | O3 | C11 | H4 | 180.0° | 175.0° |
| C4 | O3 | C11 | H5 | 60.0° | 55.0° |
| C4 | O3 | C11 | H6 | 60.0° | 65.0° |
| C4 | C5 | C9 | C10 | 0.8° | 0.6° |
| C4 | C5 | C9 | C6 | 178.6° | 179.4° |
| C4 | C5 | C9 | C8 | 179.7° | 179.1° |
| C4 | C5 | C6 | C13 | 66.8° | 70.9° |
| C4 | C5 | C6 | N1 | 165.8° | 169.1° |
| C4 | C5 | C6 | H3 | 47.0° | 49.0° |
| C10 | C9 | C5 | C8 | 179.5° | 179.7° |
| C10 | C9 | C5 | C6 | 179.4° | 178.8° |
| C10 | C9 | C8 | C7 | 170.0° | 160.0° |
| C10 | C9 | C8 | H9 | 69.2° | 39.6° |
| C10 | C9 | C8 | H10 | 49.2° | 79.7° |
| C9 | C5 | C6 | C13 | 111.8° | 108.5° |
| C9 | C5 | C6 | N1 | 15.7° | 11.5° |
| C5 | C9 | C8 | C7 | 10.5° | 20.2° |
| C9 | C5 | C6 | H3 | 134.5° | 131.6° |
| C5 | C9 | C8 | H9 | 110.3° | 140.6° |
| C5 | C9 | C8 | H10 | 131.3° | 100.1° |
| C5 | C9 | C10 | H11 | 179.5° | 179.5° |
| C6 | C5 | C9 | C8 | 1.1° | 1.5° |
| C5 | C6 | C13 | N1 | 122.4° | 120.2° |
| C5 | C6 | C13 | H3 | 114.1° | 119.9° |
| C5 | C6 | N1 | H3 | 118.7° | 120.1° |
| C5 | C6 | C13 | C20 | 73.5° | 174.0° |
| C5 | C6 | C13 | O4 | 169.9° | 69.3° |
| C5 | C6 | N1 | C7 | 43.5° | 44.3° |
| C5 | C6 | N1 | C12 | 137.9° | 135.6° |
| C5 | C6 | C13 | H12 | 48.4° | 52.4° |
| C9 | C8 | C7 | H9 | 120.8° | 120.4° |
| C9 | C8 | C7 | H10 | 120.8° | 120.3° |
| C9 | C8 | C7 | N1 | 34.1° | 47.5° |
| C9 | C8 | C7 | H7 | 154.3° | 167.2° |
| C9 | C8 | C7 | H8 | 86.2° | 72.1° |
| C9 | C8 | H9 | H10 | 117.5° | 119.3° |
| C8 | C9 | C10 | H11 | 0.0° | 0.7° |
| C13 | C6 | N1 | H3 | 123.2° | 119.9° |
| C6 | C13 | C20 | O4 | 121.7° | 119.3° |
| C6 | C13 | C20 | H12 | 121.5° | 121.6° |
| C6 | C13 | O4 | H12 | 120.7° | 121.7° |
| C6 | C13 | C20 | C19 | 71.5° | 78.5° |
| C13 | C6 | N1 | C7 | 74.6° | 75.7° |
| C13 | C6 | N1 | C12 | 103.9° | 104.3° |
| C6 | C13 | C20 | C15 | 106.4° | 101.4° |
| C6 | C13 | O4 | C14 | 98.1° | 90.6° |
| N1 | C6 | C13 | C20 | 48.9° | 53.8° |
| N1 | C6 | C13 | O4 | 67.7° | 170.4° |
| C6 | N1 | C7 | C8 | 53.5° | 64.2° |
| C6 | N1 | C7 | C12 | 178.7° | 180.0° |
| C6 | N1 | C12 | N49 | 0.9° | 5.2° |
| C6 | N1 | C12 | O50 | 179.4° | 174.8° |
| C6 | N1 | C7 | H7 | 173.7° | 176.1° |
| C6 | N1 | C7 | H8 | 66.7° | 55.4° |
| N1 | C6 | C13 | H12 | 170.8° | 67.8° |
| C20 | C13 | O4 | H12 | 116.3° | 119.1° |
| C13 | C20 | C19 | C15 | 177.6° | 179.9° |
| C13 | C20 | C19 | C18 | 178.7° | 180.0° |
| C20 | C13 | O4 | C14 | 24.9° | 28.6° |
| C13 | C20 | C15 | C14 | 1.1° | 0.1° |
| C13 | C20 | C15 | C16 | 179.2° | 180.0° |
| C20 | C13 | C6 | H3 | 172.4° | 66.1° |
| C13 | C20 | C19 | H16 | 1.3° | 0.1° |
| O4 | C13 | C20 | C19 | 166.9° | 162.2° |
| O4 | C13 | C20 | C15 | 15.3° | 17.8° |
| C13 | O4 | C14 | C15 | 24.9° | 28.6° |
| C13 | O4 | C14 | H1 | 144.5° | 90.6° |
| C13 | O4 | C14 | H2 | 94.7° | 147.7° |
| O4 | C13 | C6 | H3 | 55.8° | 50.5° |
| C8 | C7 | N1 | H7 | 120.2° | 119.7° |
| C8 | C7 | N1 | H8 | 120.2° | 119.6° |
| C8 | C7 | N1 | C12 | 127.8° | 115.8° |
| C8 | C7 | H7 | H8 | 119.3° | 120.7° |
| C7 | C8 | H9 | H10 | 117.6° | 119.3° |
| C52 | C51 | N49 | H23 | 119.8° | 120.0° |
| C52 | C51 | N49 | H24 | 119.8° | 120.0° |
| C52 | C51 | N49 | C12 | 175.7° | 180.0° |
| C52 | C51 | H23 | H24 | 120.6° | 119.9° |
| C51 | C52 | H25 | H26 | 120.0° | 120.0° |
| C51 | C52 | H25 | H27 | 120.0° | 120.1° |
| C51 | C52 | H26 | H27 | 120.0° | 120.1° |
| C52 | C51 | N49 | H28 | 4.3° | 0.1° |
| C51 | N49 | C12 | N1 | 0.3° | 175.0° |
| C51 | N49 | C12 | H28 | 180.0° | 180.0° |
| C51 | N49 | C12 | O50 | 180.0° | 5.0° |
| N49 | C51 | H23 | H24 | 120.6° | 120.0° |
| N49 | C51 | C52 | H25 | 180.0° | 60.0° |
| N49 | C51 | C52 | H26 | 60.0° | 59.9° |
| N49 | C51 | C52 | H27 | 60.0° | 180.0° |
| C20 | C19 | C18 | H16 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 0.5° | 0.0° |
| C19 | C20 | C15 | C14 | 179.2° | 180.0° |
| C19 | C20 | C15 | C16 | 1.1° | 0.0° |
| C19 | C20 | C13 | H12 | 50.1° | 43.2° |
| C20 | C19 | C18 | H15 | 179.5° | 180.0° |
| C18 | C19 | C20 | C15 | 1.1° | 0.1° |
| C19 | C18 | C17 | H15 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 0.1° | 0.0° |
| C19 | C18 | C17 | O7 | 180.0° | 180.0° |
| C7 | N1 | C12 | N49 | 179.5° | 174.8° |
| C7 | N1 | C12 | O50 | 0.8° | 5.2° |
| C7 | N1 | C6 | H3 | 162.2° | 164.4° |
| N1 | C7 | H7 | H8 | 119.3° | 120.8° |
| N1 | C7 | C8 | H9 | 86.7° | 167.9° |
| N1 | C7 | C8 | H10 | 154.8° | 72.8° |
| N1 | C12 | N49 | O50 | 179.7° | 180.0° |
| C12 | N1 | C6 | H3 | 19.2° | 15.5° |
| C12 | N1 | C7 | H7 | 7.6° | 3.9° |
| C12 | N1 | C7 | H8 | 112.0° | 124.6° |
| N1 | C12 | N49 | H28 | 179.7° | 5.0° |
| C20 | C15 | C14 | O4 | 14.7° | 17.7° |
| C20 | C15 | C14 | C16 | 179.7° | 180.0° |
| C20 | C15 | C16 | C17 | 0.5° | 0.0° |
| C20 | C15 | C16 | O6 | 179.4° | 180.0° |
| C20 | C15 | C14 | H1 | 134.3° | 101.4° |
| C20 | C15 | C14 | H2 | 104.9° | 136.9° |
| C15 | C20 | C13 | H12 | 132.1° | 136.9° |
| C15 | C20 | C19 | H16 | 178.8° | 180.0° |
| O4 | C14 | C15 | H1 | 119.6° | 119.2° |
| O4 | C14 | C15 | H2 | 119.6° | 119.1° |
| O4 | C14 | C15 | C16 | 164.9° | 162.2° |
| O4 | C14 | H1 | H2 | 121.2° | 121.7° |
| C14 | O4 | C13 | H12 | 141.2° | 147.7° |
| C12 | N49 | C51 | H23 | 64.6° | 60.0° |
| C12 | N49 | C51 | H24 | 55.9° | 60.0° |
| O50 | C12 | N49 | H28 | 0.0° | 175.1° |
| C18 | C17 | C16 | C15 | 0.1° | 0.0° |
| C18 | C17 | C16 | O7 | 179.9° | 180.0° |
| C18 | C17 | C16 | O6 | 180.0° | 180.0° |
| C18 | C17 | O7 | C21 | 5.5° | 0.0° |
| C17 | C18 | C19 | H16 | 179.5° | 180.0° |
| C14 | C15 | C16 | C17 | 179.9° | 179.9° |
| C14 | C15 | C16 | O6 | 0.2° | 0.0° |
| C15 | C14 | H1 | H2 | 121.2° | 121.7° |
| C15 | C16 | C17 | O6 | 179.9° | 180.0° |
| C15 | C16 | C17 | O7 | 179.9° | 180.0° |
| C15 | C16 | O6 | C48 | 59.8° | 90.0° |
| C16 | C15 | C14 | H1 | 45.3° | 78.6° |
| C16 | C15 | C14 | H2 | 75.5° | 43.1° |
| C16 | C17 | O7 | C21 | 174.6° | 180.0° |
| C17 | C16 | O6 | C48 | 120.4° | 90.0° |
| C16 | C17 | C18 | H15 | 179.9° | 180.0° |
| O7 | C17 | C16 | O6 | 0.1° | 0.0° |
| O7 | C17 | C18 | H15 | 0.0° | 0.0° |
| C17 | O7 | C21 | H17 | 180.0° | 60.0° |
| C17 | O7 | C21 | H18 | 60.0° | 60.0° |
| C17 | O7 | C21 | H19 | 60.0° | 180.0° |
| C16 | O6 | C48 | H20 | 180.0° | 60.0° |
| C16 | O6 | C48 | H21 | 60.0° | 60.0° |
| C16 | O6 | C48 | H22 | 60.0° | 180.0° |
| O7 | C21 | H17 | H18 | 120.0° | 120.0° |
| O7 | C21 | H17 | H19 | 120.0° | 120.0° |
| O7 | C21 | H18 | H19 | 120.0° | 120.0° |
| O6 | C48 | H20 | H21 | 120.0° | 120.0° |
| O6 | C48 | H20 | H22 | 120.0° | 119.9° |
| O6 | C48 | H21 | H22 | 120.0° | 120.0° |
| H3 | C6 | C13 | H12 | 65.7° | 172.3° |
| H4 | C11 | H5 | H6 | 120.0° | 120.1° |
| H7 | C7 | C8 | H9 | 33.5° | 72.4° |
| H7 | C7 | C8 | H10 | 84.9° | 46.9° |
| H8 | C7 | C8 | H9 | 153.0° | 48.3° |
| H8 | C7 | C8 | H10 | 34.6° | 167.6° |
| H15 | C18 | C19 | H16 | 0.6° | 0.0° |
| H17 | C21 | H18 | H19 | 120.0° | 120.0° |
| H20 | C48 | H21 | H22 | 120.0° | 120.0° |
| H23 | C51 | C52 | H25 | 60.3° | 60.1° |
| H23 | C51 | C52 | H26 | 59.8° | 180.0° |
| H23 | C51 | C52 | H27 | 179.8° | 60.0° |
| H23 | C51 | N49 | H28 | 115.4° | 120.0° |
| H24 | C51 | C52 | H25 | 60.2° | 180.0° |
| H24 | C51 | C52 | H26 | 179.8° | 60.1° |
| H24 | C51 | C52 | H27 | 59.8° | 60.0° |
| H24 | C51 | N49 | H28 | 124.1° | 120.0° |
| H25 | C52 | H26 | H27 | 120.0° | 120.0° |
