DX9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C13 | doub | 1.36Å | 1.40Å | Aromatic |
| C12 | C8 | sing | 1.41Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C11 | C10 | doub | 1.36Å | 1.41Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | C7 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C7 | C6 | doub | 1.41Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.42Å | 1.43Å | Aromatic |
| C6 | C5 | sing | 1.36Å | 1.41Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | C4 | doub | 1.41Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C2 | sing | 1.48Å | 1.50Å | |
| C9 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C2 | N2 | doub | 1.30Å | 1.45Å | |
| C2 | N1 | sing | 1.38Å | 1.27Å | |
| C27 | H227 | sing | 1.09Å | 1.10Å | |
| N2 | HN21 | sing | 0.97Å | 1.00Å | |
| N1 | HN12 | sing | 0.97Å | 1.00Å | |
| N1 | HN11 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C22 | O23 | doub | 1.21Å | 1.23Å | |
| C22 | O24 | sing | 1.34Å | 1.22Å | |
| C22 | C15 | sing | 1.51Å | 1.48Å | |
| O24 | HO4 | sing | 0.97Å | 0.95Å | |
| C15 | C16 | sing | 1.51Å | 1.56Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| N28 | C27 | sing | 1.47Å | 1.46Å | |
| N28 | C29 | sing | 1.47Å | 1.47Å | |
| N28 | C31 | sing | 1.37Å | 1.32Å | |
| C27 | C26 | sing | 1.55Å | 1.55Å | |
| C27 | H127 | sing | 1.09Å | 1.10Å | |
| C26 | C30 | sing | 1.55Å | 1.54Å | |
| C26 | O25 | sing | 1.43Å | 1.45Å | |
| C30 | C29 | sing | 1.54Å | 1.55Å | |
| C30 | H130 | sing | 1.09Å | 1.10Å | |
| C29 | H129 | sing | 1.09Å | 1.10Å | |
| C31 | N32 | doub | 1.29Å | 1.28Å | |
| C31 | C33 | sing | 1.51Å | 1.53Å | |
| C29 | H229 | sing | 1.09Å | 1.10Å | |
| N32 | HN31 | sing | 0.97Å | 1.00Å | |
| C30 | H230 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å | |
| C21 | C20 | doub | 1.38Å | 1.33Å | Aromatic |
| C21 | C16 | sing | 1.38Å | 1.61Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | C19 | sing | 1.39Å | 1.55Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | doub | 1.39Å | 1.42Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | O25 | sing | 1.36Å | 1.40Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | C8 | 119.7° | 119.6° |
| C13 | C12 | H12 | 120.2° | 120.2° |
| C12 | C13 | C11 | 121.0° | 121.0° |
| C12 | C13 | C14 | 116.4° | 119.5° |
| C8 | C12 | H12 | 120.1° | 120.2° |
| C12 | C8 | C7 | 120.2° | 119.4° |
| C12 | C8 | C9 | 118.0° | 121.1° |
| C11 | C13 | C14 | 122.6° | 119.5° |
| C13 | C11 | C10 | 119.6° | 121.0° |
| C13 | C11 | H11 | 120.2° | 119.5° |
| C13 | C14 | C15 | 112.6° | 109.5° |
| C13 | C14 | H141 | 108.4° | 109.5° |
| C13 | C14 | H142 | 107.7° | 109.4° |
| C10 | C11 | H11 | 120.2° | 119.5° |
| C11 | C10 | C7 | 119.3° | 119.7° |
| C11 | C10 | H10 | 120.4° | 120.2° |
| C7 | C10 | H10 | 120.3° | 120.1° |
| C10 | C7 | C6 | 121.2° | 121.1° |
| C10 | C7 | C8 | 120.2° | 119.2° |
| C6 | C7 | C8 | 118.6° | 119.7° |
| C7 | C6 | C5 | 119.4° | 120.0° |
| C7 | C6 | H6 | 120.3° | 120.0° |
| C7 | C8 | C9 | 121.8° | 119.5° |
| C5 | C6 | H6 | 120.3° | 120.0° |
| C6 | C5 | C4 | 121.3° | 120.9° |
| C6 | C5 | H5 | 119.3° | 119.6° |
| C4 | C5 | H5 | 119.4° | 119.5° |
| C5 | C4 | C9 | 119.1° | 120.5° |
| C5 | C4 | C2 | 120.8° | 119.8° |
| C9 | C4 | C2 | 120.0° | 119.7° |
| C4 | C9 | C8 | 119.7° | 119.5° |
| C4 | C9 | H9 | 120.1° | 120.2° |
| C4 | C2 | N2 | 117.8° | 120.0° |
| C4 | C2 | N1 | 118.6° | 120.0° |
| C8 | C9 | H9 | 120.1° | 120.3° |
| N2 | C2 | N1 | 123.6° | 120.0° |
| C2 | N2 | HN21 | 106.7° | 120.0° |
| C2 | N1 | HN12 | 106.7° | 119.9° |
| C2 | N1 | HN11 | 126.7° | 120.0° |
| H227 | C27 | N28 | 112.5° | 110.4° |
| H227 | C27 | C26 | 112.5° | 110.4° |
| H227 | C27 | H127 | 102.9° | 110.3° |
| HN12 | N1 | HN11 | 126.6° | 120.0° |
| C15 | C14 | H141 | 108.5° | 109.5° |
| C15 | C14 | H142 | 107.8° | 109.5° |
| C14 | C15 | C22 | 113.0° | 109.5° |
| C14 | C15 | C16 | 117.2° | 109.5° |
| C14 | C15 | H15 | 100.2° | 109.5° |
| H141 | C14 | H142 | 111.9° | 109.5° |
| O23 | C22 | O24 | 116.5° | 120.1° |
| O23 | C22 | C15 | 121.7° | 120.0° |
| O24 | C22 | C15 | 121.9° | 120.0° |
| C22 | O24 | HO4 | 109.5° | 117.0° |
| C22 | C15 | C16 | 106.7° | 109.4° |
| C22 | C15 | H15 | 112.1° | 109.4° |
| C16 | C15 | H15 | 107.4° | 109.4° |
| C15 | C16 | C21 | 119.7° | 119.9° |
| C15 | C16 | C17 | 116.9° | 119.9° |
| C27 | N28 | C29 | 113.6° | 108.7° |
| C27 | N28 | C31 | 121.9° | 125.6° |
| N28 | C27 | C26 | 100.6° | 104.9° |
| N28 | C27 | H127 | 114.3° | 110.3° |
| C29 | N28 | C31 | 124.4° | 125.6° |
| N28 | C29 | C30 | 101.6° | 107.3° |
| N28 | C29 | H129 | 112.2° | 109.9° |
| N28 | C29 | H229 | 113.8° | 109.9° |
| N28 | C31 | N32 | 121.5° | 120.0° |
| N28 | C31 | C33 | 121.0° | 120.0° |
| C26 | C27 | H127 | 114.4° | 110.5° |
| C27 | C26 | C30 | 101.0° | 101.6° |
| C27 | C26 | O25 | 113.5° | 111.0° |
| C27 | C26 | H26 | 114.1° | 111.0° |
| C30 | C26 | O25 | 113.9° | 111.0° |
| C26 | C30 | C29 | 101.4° | 102.9° |
| C26 | C30 | H130 | 112.3° | 110.7° |
| C26 | C30 | H230 | 114.0° | 110.7° |
| C30 | C26 | H26 | 113.7° | 111.0° |
| C26 | O25 | C19 | 124.9° | 117.0° |
| O25 | C26 | H26 | 101.2° | 110.9° |
| C29 | C30 | H130 | 112.3° | 110.7° |
| C30 | C29 | H129 | 112.2° | 109.9° |
| C30 | C29 | H229 | 113.8° | 109.9° |
| C29 | C30 | H230 | 113.9° | 110.7° |
| H130 | C30 | H230 | 103.4° | 110.8° |
| H129 | C29 | H229 | 103.6° | 110.0° |
| N32 | C31 | C33 | 117.5° | 120.0° |
| C31 | N32 | HN31 | 111.9° | 120.0° |
| C31 | C33 | H331 | 109.5° | 109.5° |
| C31 | C33 | H332 | 109.5° | 109.5° |
| C31 | C33 | H333 | 109.5° | 109.4° |
| H331 | C33 | H332 | 109.5° | 109.5° |
| H331 | C33 | H333 | 109.5° | 109.5° |
| H332 | C33 | H333 | 109.5° | 109.4° |
| C20 | C21 | C16 | 115.7° | 120.0° |
| C20 | C21 | H21 | 122.2° | 120.0° |
| C21 | C20 | C19 | 118.8° | 119.9° |
| C21 | C20 | H20 | 120.6° | 120.0° |
| C16 | C21 | H21 | 122.2° | 120.0° |
| C21 | C16 | C17 | 123.4° | 120.1° |
| C19 | C20 | H20 | 120.6° | 120.1° |
| C20 | C19 | C18 | 123.5° | 119.9° |
| C20 | C19 | O25 | 125.1° | 120.1° |
| C18 | C17 | C16 | 119.0° | 120.0° |
| C18 | C17 | H17 | 120.5° | 120.0° |
| C17 | C18 | C19 | 119.6° | 119.9° |
| C17 | C18 | H18 | 120.2° | 120.0° |
| C16 | C17 | H17 | 120.5° | 120.0° |
| C19 | C18 | H18 | 120.2° | 120.1° |
| C18 | C19 | O25 | 111.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | C8 | H12 | 180.0° | 179.7° |
| C12 | C13 | C11 | C14 | 179.6° | 180.0° |
| C12 | C13 | C11 | C10 | 0.2° | 0.0° |
| C12 | C13 | C11 | H11 | 179.8° | 180.0° |
| C13 | C12 | C8 | C7 | 0.2° | 0.0° |
| C13 | C12 | C8 | C9 | 179.6° | 180.0° |
| C12 | C13 | C14 | C15 | 128.4° | 83.0° |
| C12 | C13 | C14 | H141 | 8.4° | 157.0° |
| C12 | C13 | C14 | H142 | 112.9° | 37.0° |
| C8 | C12 | C13 | C11 | 0.1° | 0.0° |
| C8 | C12 | C13 | C14 | 179.8° | 180.0° |
| C12 | C8 | C7 | C10 | 0.4° | 0.1° |
| C12 | C8 | C7 | C6 | 179.8° | 180.0° |
| C12 | C8 | C7 | C9 | 179.4° | 180.0° |
| C12 | C8 | C9 | C4 | 179.6° | 180.0° |
| C12 | C8 | C9 | H9 | 0.4° | 0.0° |
| H12 | C12 | C13 | C11 | 179.8° | 179.7° |
| H12 | C12 | C13 | C14 | 0.2° | 0.3° |
| H12 | C12 | C8 | C7 | 179.8° | 179.7° |
| H12 | C12 | C8 | C9 | 0.4° | 0.3° |
| C13 | C11 | C10 | H11 | 180.0° | 180.0° |
| C13 | C11 | C10 | C7 | 0.1° | 0.0° |
| C13 | C11 | C10 | H10 | 179.9° | 180.0° |
| C11 | C13 | C14 | C15 | 51.9° | 97.1° |
| C11 | C13 | C14 | H141 | 172.0° | 23.0° |
| C11 | C13 | C14 | H142 | 66.7° | 143.0° |
| C14 | C13 | C11 | C10 | 179.8° | 180.0° |
| C14 | C13 | C11 | H11 | 0.2° | 0.0° |
| C13 | C14 | C15 | H141 | 120.0° | 120.0° |
| C13 | C14 | C15 | H142 | 118.6° | 120.0° |
| C13 | C14 | H141 | H142 | 118.7° | 120.0° |
| C13 | C14 | C15 | C22 | 169.0° | 174.6° |
| C13 | C14 | C15 | C16 | 66.2° | 65.4° |
| C13 | C14 | C15 | H15 | 49.5° | 54.6° |
| C11 | C10 | C7 | H10 | 180.0° | 180.0° |
| C11 | C10 | C7 | C6 | 179.8° | 180.0° |
| C11 | C10 | C7 | C8 | 0.4° | 0.1° |
| H11 | C11 | C10 | C7 | 179.9° | 180.0° |
| H11 | C11 | C10 | H10 | 0.1° | 0.0° |
| C10 | C7 | C6 | C8 | 179.8° | 179.9° |
| C10 | C7 | C6 | C5 | 179.9° | 179.9° |
| C10 | C7 | C6 | H6 | 0.0° | 0.0° |
| C10 | C7 | C8 | C9 | 179.9° | 180.0° |
| H10 | C10 | C7 | C6 | 0.2° | 0.0° |
| H10 | C10 | C7 | C8 | 179.6° | 179.9° |
| C7 | C6 | C5 | H6 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 0.6° | 0.0° |
| C7 | C6 | C5 | H5 | 179.4° | 180.0° |
| C6 | C7 | C8 | C9 | 0.4° | 0.1° |
| C8 | C7 | C6 | C5 | 0.2° | 0.0° |
| C8 | C7 | C6 | H6 | 179.8° | 179.9° |
| C7 | C8 | C9 | C4 | 0.9° | 0.1° |
| C7 | C8 | C9 | H9 | 179.1° | 180.0° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | C9 | 1.1° | 0.0° |
| C6 | C5 | C4 | C2 | 179.8° | 180.0° |
| H6 | C6 | C5 | C4 | 179.4° | 180.0° |
| H6 | C6 | C5 | H5 | 0.6° | 0.0° |
| C5 | C4 | C9 | C2 | 178.6° | 179.9° |
| C5 | C4 | C9 | C8 | 1.3° | 0.0° |
| C5 | C4 | C9 | H9 | 178.7° | 180.0° |
| C5 | C4 | C2 | N2 | 16.0° | 180.0° |
| C5 | C4 | C2 | N1 | 166.2° | 0.0° |
| H5 | C5 | C4 | C9 | 178.9° | 180.0° |
| H5 | C5 | C4 | C2 | 0.2° | 0.0° |
| C4 | C9 | C8 | H9 | 180.0° | 180.0° |
| C9 | C4 | C2 | N2 | 162.6° | 0.0° |
| C9 | C4 | C2 | N1 | 15.1° | 180.0° |
| C2 | C4 | C9 | C8 | 179.9° | 179.9° |
| C2 | C4 | C9 | H9 | 0.1° | 0.0° |
| C4 | C2 | N2 | N1 | 177.7° | 180.0° |
| C4 | C2 | N2 | HN21 | 180.0° | 180.0° |
| C4 | C2 | N1 | HN12 | 1.0° | 0.0° |
| C4 | C2 | N1 | HN11 | 178.9° | 180.0° |
| N2 | C2 | N1 | HN12 | 178.7° | 180.0° |
| N2 | C2 | N1 | HN11 | 1.3° | 0.0° |
| N1 | C2 | N2 | HN21 | 2.4° | 0.0° |
| C2 | N1 | HN12 | HN11 | 179.9° | 180.0° |
| H227 | C27 | N28 | C26 | 120.0° | 118.9° |
| H227 | C27 | N28 | H127 | 116.9° | 122.2° |
| H227 | C27 | N28 | C29 | 99.4° | 143.0° |
| H227 | C27 | N28 | C31 | 80.0° | 37.3° |
| H227 | C27 | C26 | H127 | 116.9° | 122.3° |
| H227 | C27 | C26 | C30 | 79.5° | 155.9° |
| H227 | C27 | C26 | O25 | 158.1° | 86.0° |
| H227 | C27 | C26 | H26 | 42.8° | 37.8° |
| C15 | C14 | H141 | H142 | 118.8° | 120.0° |
| C14 | C15 | C22 | O23 | 133.3° | 6.1° |
| C14 | C15 | C22 | O24 | 47.4° | 173.9° |
| C14 | C15 | C22 | C16 | 130.3° | 120.0° |
| C14 | C15 | C22 | H15 | 112.4° | 120.1° |
| C14 | C15 | C16 | H15 | 111.7° | 120.1° |
| C14 | C15 | C16 | C21 | 152.6° | 120.0° |
| C14 | C15 | C16 | C17 | 27.1° | 59.9° |
| H141 | C14 | C15 | C22 | 71.0° | 65.4° |
| H141 | C14 | C15 | C16 | 53.8° | 54.6° |
| H141 | C14 | C15 | H15 | 169.5° | 174.6° |
| H142 | C14 | C15 | C22 | 50.4° | 54.6° |
| H142 | C14 | C15 | C16 | 175.2° | 174.6° |
| H142 | C14 | C15 | H15 | 69.1° | 65.4° |
| O23 | C22 | O24 | C15 | 179.3° | 179.9° |
| O23 | C22 | O24 | HO4 | 0.0° | 0.0° |
| O23 | C22 | C15 | C16 | 96.3° | 114.0° |
| O23 | C22 | C15 | H15 | 20.9° | 126.1° |
| O24 | C22 | C15 | C16 | 83.0° | 66.1° |
| O24 | C22 | C15 | H15 | 159.7° | 53.8° |
| C15 | C22 | O24 | HO4 | 179.3° | 180.0° |
| C22 | C15 | C16 | H15 | 120.4° | 119.9° |
| C22 | C15 | C16 | C21 | 79.5° | 120.0° |
| C22 | C15 | C16 | C17 | 100.8° | 60.1° |
| C15 | C16 | C21 | C20 | 179.3° | 179.9° |
| C15 | C16 | C21 | C17 | 179.7° | 179.9° |
| C15 | C16 | C21 | H21 | 0.7° | 0.2° |
| C15 | C16 | C17 | C18 | 179.7° | 179.9° |
| C15 | C16 | C17 | H17 | 0.3° | 0.0° |
| H15 | C15 | C16 | C21 | 40.9° | 0.1° |
| H15 | C15 | C16 | C17 | 138.8° | 180.0° |
| C27 | N28 | C29 | C31 | 179.3° | 179.8° |
| N28 | C27 | C26 | H127 | 123.0° | 118.8° |
| N28 | C27 | C26 | C30 | 40.5° | 37.0° |
| N28 | C27 | C26 | O25 | 81.9° | 155.1° |
| C27 | N28 | C29 | C30 | 7.8° | 1.0° |
| C27 | N28 | C29 | H129 | 112.2° | 118.4° |
| C27 | N28 | C31 | N32 | 178.1° | 0.1° |
| C27 | N28 | C31 | C33 | 1.7° | 180.0° |
| C27 | N28 | C29 | H229 | 130.6° | 120.4° |
| N28 | C27 | C26 | H26 | 162.8° | 81.1° |
| C29 | N28 | C27 | C26 | 20.6° | 24.1° |
| C29 | N28 | C27 | H127 | 143.7° | 94.8° |
| N28 | C29 | C30 | C26 | 33.1° | 22.2° |
| N28 | C29 | C30 | H129 | 120.0° | 119.4° |
| N28 | C29 | C30 | H229 | 122.8° | 119.4° |
| N28 | C29 | C30 | H130 | 86.9° | 140.5° |
| N28 | C29 | H129 | H229 | 123.2° | 121.1° |
| C29 | N28 | C31 | N32 | 1.2° | 179.7° |
| C29 | N28 | C31 | C33 | 179.0° | 0.3° |
| N28 | C29 | C30 | H230 | 156.0° | 96.2° |
| C31 | N28 | C27 | C26 | 160.0° | 156.1° |
| C31 | N28 | C27 | H127 | 37.0° | 84.9° |
| C31 | N28 | C29 | C30 | 171.5° | 179.2° |
| C31 | N28 | C29 | H129 | 68.5° | 61.4° |
| N28 | C31 | N32 | C33 | 179.8° | 179.9° |
| C31 | N28 | C29 | H229 | 48.7° | 59.8° |
| N28 | C31 | N32 | HN31 | 180.0° | 180.0° |
| N28 | C31 | C33 | H331 | 172.2° | 0.0° |
| N28 | C31 | C33 | H332 | 67.8° | 120.0° |
| N28 | C31 | C33 | H333 | 52.2° | 120.0° |
| C27 | C26 | C30 | O25 | 122.0° | 118.1° |
| C27 | C26 | C30 | H26 | 122.7° | 118.1° |
| C27 | C26 | O25 | H26 | 122.7° | 123.9° |
| C27 | C26 | C30 | C29 | 46.0° | 35.5° |
| C27 | C26 | C30 | H130 | 74.0° | 153.8° |
| C27 | C26 | C30 | H230 | 168.8° | 82.9° |
| C27 | C26 | O25 | C19 | 77.1° | 157.1° |
| H127 | C27 | C26 | C30 | 163.5° | 81.9° |
| H127 | C27 | C26 | O25 | 41.2° | 36.2° |
| H127 | C27 | C26 | H26 | 74.1° | 160.1° |
| C30 | C26 | O25 | H26 | 122.4° | 123.9° |
| C26 | C30 | C29 | H130 | 120.0° | 118.3° |
| C26 | C30 | C29 | H230 | 122.8° | 118.4° |
| C26 | C30 | H130 | H230 | 123.3° | 123.3° |
| C26 | C30 | C29 | H129 | 86.9° | 141.6° |
| C26 | C30 | C29 | H229 | 155.9° | 97.2° |
| C30 | C26 | O25 | C19 | 168.0° | 90.7° |
| O25 | C26 | C30 | C29 | 76.0° | 153.6° |
| O25 | C26 | C30 | H130 | 164.0° | 88.1° |
| O25 | C26 | C30 | H230 | 46.8° | 35.2° |
| C26 | O25 | C19 | C20 | 24.3° | 6.0° |
| C26 | O25 | C19 | C18 | 156.1° | 174.0° |
| C29 | C30 | H130 | H230 | 123.3° | 123.2° |
| C30 | C29 | H129 | H229 | 123.2° | 121.1° |
| C29 | C30 | C26 | H26 | 168.7° | 82.6° |
| H130 | C30 | C29 | H129 | 153.1° | 100.1° |
| H130 | C30 | C29 | H229 | 35.9° | 21.1° |
| H130 | C30 | C26 | H26 | 48.7° | 35.8° |
| H129 | C29 | C30 | H230 | 36.0° | 23.2° |
| N32 | C31 | C33 | H331 | 7.6° | 180.0° |
| N32 | C31 | C33 | H332 | 112.4° | 59.9° |
| N32 | C31 | C33 | H333 | 127.6° | 60.0° |
| C33 | C31 | N32 | HN31 | 0.2° | 0.1° |
| C31 | C33 | H331 | H332 | 120.0° | 120.0° |
| C31 | C33 | H331 | H333 | 120.0° | 120.0° |
| C31 | C33 | H332 | H333 | 120.0° | 119.9° |
| H229 | C29 | C30 | H230 | 81.2° | 144.4° |
| H230 | C30 | C26 | H26 | 68.5° | 159.1° |
| H331 | C33 | H332 | H333 | 120.0° | 120.0° |
| C20 | C21 | C16 | H21 | 180.0° | 179.8° |
| C21 | C20 | C19 | H20 | 180.0° | 180.0° |
| C20 | C21 | C16 | C17 | 0.4° | 0.0° |
| C21 | C20 | C19 | C18 | 0.3° | 0.0° |
| C21 | C20 | C19 | O25 | 180.0° | 180.0° |
| C16 | C21 | C20 | C19 | 0.5° | 0.0° |
| C16 | C21 | C20 | H20 | 179.5° | 180.0° |
| C21 | C16 | C17 | C18 | 0.1° | 0.0° |
| C21 | C16 | C17 | H17 | 179.9° | 179.9° |
| H21 | C21 | C20 | C19 | 179.5° | 179.7° |
| H21 | C21 | C20 | H20 | 0.5° | 0.3° |
| H21 | C21 | C16 | C17 | 179.6° | 179.7° |
| C20 | C19 | C18 | C17 | 0.0° | 0.0° |
| C20 | C19 | C18 | O25 | 179.7° | 180.0° |
| C20 | C19 | C18 | H18 | 180.0° | 180.0° |
| H20 | C20 | C19 | C18 | 179.7° | 180.0° |
| H20 | C20 | C19 | O25 | 0.0° | 0.0° |
| C18 | C17 | C16 | H17 | 180.0° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | O25 | 179.7° | 179.9° |
| C16 | C17 | C18 | C19 | 0.1° | 0.0° |
| C16 | C17 | C18 | H18 | 179.9° | 180.0° |
| H17 | C17 | C18 | C19 | 179.9° | 180.0° |
| H17 | C17 | C18 | H18 | 0.1° | 0.1° |
| H18 | C18 | C19 | O25 | 0.3° | 0.0° |
| C19 | O25 | C26 | H26 | 45.6° | 33.2° |
