NOV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | H11A | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| O1 | C27 | sing | 1.43Å | 1.43Å | |
| N1 | C12 | sing | 1.35Å | 1.31Å | |
| N1 | HN11 | sing | 0.97Å | 1.00Å | |
| N1 | HN12 | sing | 0.97Å | 1.00Å | |
| C12 | O4 | doub | 1.21Å | 1.20Å | |
| C12 | O5 | sing | 1.35Å | 1.31Å | |
| O5 | C28 | sing | 1.45Å | 1.46Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C27 | C31 | sing | 1.53Å | 1.55Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | O6 | sing | 1.43Å | 1.42Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C30 | O7 | sing | 1.43Å | 1.43Å | |
| C30 | O8 | sing | 1.43Å | 1.41Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| O7 | C31 | sing | 1.43Å | 1.42Å | |
| C31 | C23 | sing | 1.53Å | 1.55Å | |
| C31 | C26 | sing | 1.53Å | 1.56Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| O8 | C3 | sing | 1.36Å | 1.38Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C11 | sing | 1.39Å | 1.42Å | Aromatic |
| C4 | C2 | sing | 1.51Å | 1.47Å | |
| C4 | C5 | sing | 1.39Å | 1.35Å | Aromatic |
| C2 | H21A | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C5 | C9 | doub | 1.41Å | 1.41Å | Aromatic |
| C5 | O10 | sing | 1.35Å | 1.40Å | |
| C9 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
| C9 | C8 | sing | 1.47Å | 1.47Å | |
| C10 | C11 | doub | 1.37Å | 1.40Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| O10 | C6 | sing | 1.34Å | 1.32Å | |
| C6 | O11 | doub | 1.22Å | 1.19Å | |
| C6 | C7 | sing | 1.41Å | 1.48Å | |
| C7 | C8 | doub | 1.38Å | 1.34Å | |
| C7 | N2 | sing | 1.41Å | 1.45Å | |
| C8 | O9 | sing | 1.35Å | 1.35Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| N2 | C13 | sing | 1.35Å | 1.34Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C13 | O2 | doub | 1.22Å | 1.20Å | |
| C13 | C14 | sing | 1.48Å | 1.46Å | |
| C14 | C15 | doub | 1.40Å | 1.41Å | Aromatic |
| C14 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C20 | sing | 1.51Å | 1.51Å | |
| C17 | O3 | sing | 1.36Å | 1.37Å | |
| C17 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | doub | 1.31Å | 1.35Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C24 | sing | 1.51Å | 1.51Å | |
| C22 | C25 | sing | 1.51Å | 1.50Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | H11A | 109.5° | 109.5° |
| O1 | C1 | H12 | 109.5° | 109.5° |
| O1 | C1 | H13 | 109.5° | 109.4° |
| C1 | O1 | C27 | 112.3° | 114.0° |
| H11A | C1 | H12 | 109.5° | 109.5° |
| H11A | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.4° | 109.5° |
| O1 | C27 | C28 | 110.0° | 109.6° |
| O1 | C27 | C31 | 113.5° | 109.6° |
| O1 | C27 | H27 | 108.7° | 109.5° |
| C12 | N1 | HN11 | 120.0° | 120.0° |
| C12 | N1 | HN12 | 120.0° | 120.0° |
| N1 | C12 | O4 | 123.2° | 120.0° |
| N1 | C12 | O5 | 113.5° | 120.0° |
| HN11 | N1 | HN12 | 120.0° | 120.0° |
| O4 | C12 | O5 | 123.2° | 120.0° |
| C12 | O5 | C28 | 118.6° | 117.0° |
| O5 | C28 | C27 | 109.6° | 109.6° |
| O5 | C28 | C29 | 105.5° | 109.6° |
| O5 | C28 | H28 | 111.0° | 109.5° |
| C28 | C27 | C31 | 115.4° | 109.2° |
| C28 | C27 | H27 | 106.4° | 109.5° |
| C27 | C28 | C29 | 106.3° | 109.1° |
| C27 | C28 | H28 | 110.2° | 109.5° |
| C31 | C27 | H27 | 102.3° | 109.5° |
| C27 | C31 | O7 | 112.0° | 109.4° |
| C27 | C31 | C23 | 109.5° | 109.5° |
| C27 | C31 | C26 | 109.0° | 109.5° |
| C29 | C28 | H28 | 114.0° | 109.6° |
| C28 | C29 | O6 | 108.5° | 109.6° |
| C28 | C29 | C30 | 109.5° | 109.1° |
| C28 | C29 | H29 | 113.2° | 109.5° |
| O6 | C29 | C30 | 117.0° | 109.5° |
| O6 | C29 | H29 | 104.9° | 109.6° |
| C29 | O6 | HO6 | 109.5° | 114.0° |
| C30 | C29 | H29 | 103.8° | 109.5° |
| C29 | C30 | O7 | 113.9° | 109.4° |
| C29 | C30 | O8 | 99.9° | 109.5° |
| C29 | C30 | H30 | 112.9° | 109.5° |
| O7 | C30 | O8 | 109.4° | 109.5° |
| O7 | C30 | H30 | 104.1° | 109.4° |
| C30 | O7 | C31 | 117.6° | 114.1° |
| O8 | C30 | H30 | 117.1° | 109.5° |
| C30 | O8 | C3 | 119.6° | 117.0° |
| O7 | C31 | C23 | 111.0° | 109.4° |
| O7 | C31 | C26 | 103.3° | 109.5° |
| C23 | C31 | C26 | 112.0° | 109.5° |
| C31 | C23 | H231 | 109.5° | 109.5° |
| C31 | C23 | H232 | 109.5° | 109.5° |
| C31 | C23 | H233 | 109.5° | 109.4° |
| C31 | C26 | H261 | 109.5° | 109.5° |
| C31 | C26 | H262 | 109.5° | 109.5° |
| C31 | C26 | H263 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H231 | C23 | H233 | 109.5° | 109.5° |
| H232 | C23 | H233 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.4° | 109.4° |
| H261 | C26 | H263 | 109.5° | 109.4° |
| H262 | C26 | H263 | 109.5° | 109.5° |
| O8 | C3 | C4 | 111.6° | 119.7° |
| O8 | C3 | C11 | 126.4° | 119.7° |
| C4 | C3 | C11 | 121.8° | 120.6° |
| C3 | C4 | C2 | 124.8° | 120.1° |
| C3 | C4 | C5 | 118.4° | 119.8° |
| C3 | C11 | C10 | 119.1° | 120.3° |
| C3 | C11 | H11 | 120.5° | 119.8° |
| C2 | C4 | C5 | 116.8° | 120.1° |
| C4 | C2 | H21A | 109.5° | 109.5° |
| C4 | C2 | H22 | 109.5° | 109.5° |
| C4 | C2 | H23 | 109.5° | 109.4° |
| C4 | C5 | C9 | 121.8° | 119.3° |
| C4 | C5 | O10 | 114.3° | 120.6° |
| H21A | C2 | H22 | 109.4° | 109.5° |
| H21A | C2 | H23 | 109.5° | 109.5° |
| H22 | C2 | H23 | 109.5° | 109.5° |
| C9 | C5 | O10 | 123.8° | 120.1° |
| C5 | C9 | C10 | 120.4° | 120.2° |
| C5 | C9 | C8 | 116.5° | 118.9° |
| C5 | O10 | C6 | 119.1° | 121.9° |
| C10 | C9 | C8 | 123.1° | 120.9° |
| C9 | C10 | C11 | 118.1° | 119.8° |
| C9 | C10 | H10 | 121.0° | 120.1° |
| C9 | C8 | C7 | 118.8° | 117.9° |
| C9 | C8 | O9 | 120.8° | 121.1° |
| C11 | C10 | H10 | 121.0° | 120.0° |
| C10 | C11 | H11 | 120.4° | 119.8° |
| O10 | C6 | O11 | 121.8° | 119.1° |
| O10 | C6 | C7 | 120.0° | 121.8° |
| O11 | C6 | C7 | 118.1° | 119.1° |
| C6 | C7 | C8 | 121.9° | 119.5° |
| C6 | C7 | N2 | 117.1° | 120.3° |
| C8 | C7 | N2 | 120.8° | 120.2° |
| C7 | C8 | O9 | 120.5° | 121.0° |
| C7 | N2 | C13 | 130.2° | 120.0° |
| C7 | N2 | HN2 | 114.9° | 120.0° |
| C8 | O9 | HO9 | 109.5° | 114.0° |
| C13 | N2 | HN2 | 114.9° | 120.0° |
| N2 | C13 | O2 | 117.2° | 120.0° |
| N2 | C13 | C14 | 124.5° | 119.9° |
| O2 | C13 | C14 | 118.2° | 120.1° |
| C13 | C14 | C15 | 121.7° | 120.1° |
| C13 | C14 | C19 | 116.2° | 120.1° |
| C15 | C14 | C19 | 122.0° | 119.8° |
| C14 | C15 | C16 | 118.1° | 119.9° |
| C14 | C15 | H15 | 120.9° | 120.0° |
| C14 | C19 | C18 | 119.7° | 119.9° |
| C14 | C19 | H19 | 120.2° | 120.1° |
| C16 | C15 | H15 | 121.0° | 120.0° |
| C15 | C16 | C17 | 119.8° | 120.1° |
| C15 | C16 | C20 | 121.4° | 120.0° |
| C17 | C16 | C20 | 118.6° | 120.0° |
| C16 | C17 | O3 | 119.6° | 119.9° |
| C16 | C17 | C18 | 122.1° | 120.2° |
| C16 | C20 | C21 | 115.6° | 109.4° |
| C16 | C20 | H201 | 107.5° | 109.5° |
| C16 | C20 | H202 | 107.5° | 109.5° |
| O3 | C17 | C18 | 118.4° | 119.9° |
| C17 | O3 | HO3 | 109.5° | 113.9° |
| C17 | C18 | C19 | 118.2° | 120.1° |
| C17 | C18 | H18 | 120.9° | 119.9° |
| C19 | C18 | H18 | 120.9° | 120.0° |
| C18 | C19 | H19 | 120.1° | 120.0° |
| C21 | C20 | H201 | 107.5° | 109.4° |
| C21 | C20 | H202 | 107.5° | 109.5° |
| C20 | C21 | C22 | 127.9° | 120.0° |
| C20 | C21 | H21 | 116.1° | 120.1° |
| H201 | C20 | H202 | 111.4° | 109.5° |
| C22 | C21 | H21 | 116.0° | 120.0° |
| C21 | C22 | C24 | 122.3° | 120.0° |
| C21 | C22 | C25 | 124.1° | 120.0° |
| C24 | C22 | C25 | 113.6° | 120.0° |
| C22 | C24 | H241 | 109.5° | 109.5° |
| C22 | C24 | H242 | 109.5° | 109.4° |
| C22 | C24 | H243 | 109.5° | 109.5° |
| C22 | C25 | H251 | 109.5° | 109.5° |
| C22 | C25 | H252 | 109.5° | 109.5° |
| C22 | C25 | H253 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.4° | 109.4° |
| H241 | C24 | H243 | 109.5° | 109.5° |
| H242 | C24 | H243 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.4° | 109.4° |
| H251 | C25 | H253 | 109.5° | 109.5° |
| H252 | C25 | H253 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | H11A | H12 | 120.0° | 120.0° |
| O1 | C1 | H11A | H13 | 120.0° | 120.0° |
| O1 | C1 | H12 | H13 | 120.0° | 120.0° |
| C1 | O1 | C27 | C28 | 91.6° | 90.0° |
| C1 | O1 | C27 | C31 | 137.5° | 150.3° |
| C1 | O1 | C27 | H27 | 24.5° | 30.1° |
| H11A | C1 | H12 | H13 | 120.0° | 120.0° |
| H11A | C1 | O1 | C27 | 180.0° | 60.0° |
| H12 | C1 | O1 | C27 | 60.0° | 60.0° |
| H13 | C1 | O1 | C27 | 60.0° | 180.0° |
| O1 | C27 | C28 | O5 | 62.2° | 177.2° |
| O1 | C27 | C28 | C31 | 129.9° | 120.0° |
| O1 | C27 | C28 | H27 | 117.5° | 120.1° |
| O1 | C27 | C31 | H27 | 116.8° | 120.1° |
| O1 | C27 | C28 | C29 | 175.8° | 62.9° |
| O1 | C27 | C28 | H28 | 60.2° | 57.0° |
| O1 | C27 | C31 | O7 | 173.4° | 62.3° |
| O1 | C27 | C31 | C23 | 49.8° | 57.6° |
| O1 | C27 | C31 | C26 | 73.0° | 177.7° |
| C12 | N1 | HN11 | HN12 | 180.0° | 180.0° |
| N1 | C12 | O4 | O5 | 177.7° | 179.9° |
| N1 | C12 | O5 | C28 | 176.1° | 180.0° |
| HN11 | N1 | C12 | O4 | 0.0° | 0.1° |
| HN11 | N1 | C12 | O5 | 177.9° | 180.0° |
| HN12 | N1 | C12 | O4 | 180.0° | 179.9° |
| HN12 | N1 | C12 | O5 | 2.1° | 0.1° |
| O4 | C12 | O5 | C28 | 1.8° | 0.1° |
| C12 | O5 | C28 | C27 | 156.5° | 150.0° |
| C12 | O5 | C28 | C29 | 89.4° | 90.4° |
| C12 | O5 | C28 | H28 | 34.5° | 29.9° |
| O5 | C28 | C27 | C29 | 113.6° | 119.9° |
| O5 | C28 | C27 | H28 | 122.4° | 120.2° |
| O5 | C28 | C27 | C31 | 167.9° | 62.9° |
| O5 | C28 | C27 | H27 | 55.3° | 57.0° |
| O5 | C28 | C29 | H28 | 122.0° | 120.2° |
| O5 | C28 | C29 | O6 | 46.0° | 57.0° |
| O5 | C28 | C29 | C30 | 174.8° | 62.9° |
| O5 | C28 | C29 | H29 | 70.0° | 177.2° |
| C28 | C27 | C31 | H27 | 115.0° | 119.9° |
| C27 | C28 | C29 | H28 | 121.6° | 119.9° |
| C27 | C28 | C29 | O6 | 70.4° | 176.9° |
| C27 | C28 | C29 | C30 | 58.4° | 57.0° |
| C27 | C28 | C29 | H29 | 173.6° | 62.9° |
| C28 | C27 | C31 | O7 | 45.3° | 57.7° |
| C28 | C27 | C31 | C23 | 78.3° | 177.6° |
| C28 | C27 | C31 | C26 | 158.9° | 62.3° |
| C31 | C27 | C28 | C29 | 54.3° | 57.1° |
| C31 | C27 | C28 | H28 | 69.7° | 177.0° |
| C27 | C31 | O7 | C30 | 41.0° | 61.1° |
| C27 | C31 | O7 | C23 | 122.7° | 120.0° |
| C27 | C31 | O7 | C26 | 117.1° | 120.0° |
| C27 | C31 | C23 | C26 | 121.0° | 120.1° |
| C27 | C31 | C23 | H231 | 180.0° | 60.0° |
| C27 | C31 | C23 | H232 | 60.0° | 180.0° |
| C27 | C31 | C23 | H233 | 60.0° | 60.1° |
| C27 | C31 | C26 | H261 | 180.0° | 49.7° |
| C27 | C31 | C26 | H262 | 60.0° | 169.7° |
| C27 | C31 | C26 | H263 | 60.0° | 70.2° |
| H27 | C27 | C28 | C29 | 58.3° | 177.0° |
| H27 | C27 | C28 | H28 | 177.7° | 63.1° |
| H27 | C27 | C31 | O7 | 69.8° | 177.6° |
| H27 | C27 | C31 | C23 | 166.6° | 62.5° |
| H27 | C27 | C31 | C26 | 43.8° | 57.6° |
| C28 | C29 | O6 | C30 | 124.4° | 119.7° |
| C28 | C29 | O6 | H29 | 121.2° | 120.2° |
| C28 | C29 | C30 | H29 | 121.1° | 119.9° |
| C28 | C29 | O6 | HO6 | 180.0° | 180.0° |
| C28 | C29 | C30 | O7 | 57.6° | 57.6° |
| C28 | C29 | C30 | O8 | 58.9° | 177.6° |
| C28 | C29 | C30 | H30 | 176.0° | 62.4° |
| H28 | C28 | C29 | O6 | 168.0° | 63.2° |
| H28 | C28 | C29 | C30 | 63.2° | 176.9° |
| H28 | C28 | C29 | H29 | 52.0° | 57.0° |
| O6 | C29 | C30 | H29 | 115.0° | 120.2° |
| O6 | C29 | C30 | O7 | 66.3° | 177.5° |
| O6 | C29 | C30 | O8 | 177.2° | 62.5° |
| O6 | C29 | C30 | H30 | 52.1° | 57.5° |
| C30 | C29 | O6 | HO6 | 55.6° | 60.3° |
| C29 | C30 | O7 | O8 | 110.8° | 120.0° |
| C29 | C30 | O7 | H30 | 123.3° | 119.9° |
| C29 | C30 | O8 | H30 | 122.2° | 120.0° |
| C29 | C30 | O7 | C31 | 49.1° | 61.1° |
| C29 | C30 | O8 | C3 | 167.2° | 175.0° |
| H29 | C29 | O6 | HO6 | 58.7° | 59.9° |
| H29 | C29 | C30 | O7 | 178.7° | 62.3° |
| H29 | C29 | C30 | O8 | 62.2° | 57.7° |
| H29 | C29 | C30 | H30 | 62.9° | 177.7° |
| O7 | C30 | O8 | H30 | 118.0° | 120.0° |
| C30 | O7 | C31 | C23 | 81.7° | 178.9° |
| C30 | O7 | C31 | C26 | 158.2° | 58.9° |
| O7 | C30 | O8 | C3 | 73.0° | 65.0° |
| O8 | C30 | O7 | C31 | 61.8° | 178.9° |
| C30 | O8 | C3 | C4 | 169.8° | 180.0° |
| C30 | O8 | C3 | C11 | 4.5° | 0.3° |
| H30 | C30 | O7 | C31 | 172.4° | 58.8° |
| H30 | C30 | O8 | C3 | 44.9° | 55.0° |
| O7 | C31 | C23 | C26 | 114.8° | 120.0° |
| O7 | C31 | C23 | H231 | 55.8° | 60.0° |
| O7 | C31 | C23 | H232 | 175.8° | 60.1° |
| O7 | C31 | C23 | H233 | 64.2° | 180.0° |
| O7 | C31 | C26 | H261 | 60.8° | 169.7° |
| O7 | C31 | C26 | H262 | 59.2° | 70.3° |
| O7 | C31 | C26 | H263 | 179.2° | 49.8° |
| C31 | C23 | H231 | H232 | 120.0° | 120.0° |
| C31 | C23 | H231 | H233 | 120.0° | 120.0° |
| C31 | C23 | H232 | H233 | 120.0° | 119.9° |
| C23 | C31 | C26 | H261 | 58.7° | 70.3° |
| C23 | C31 | C26 | H262 | 178.7° | 49.6° |
| C23 | C31 | C26 | H263 | 61.3° | 169.7° |
| C26 | C31 | C23 | H231 | 59.0° | 180.0° |
| C26 | C31 | C23 | H232 | 61.0° | 59.9° |
| C26 | C31 | C23 | H233 | 179.0° | 60.0° |
| C31 | C26 | H261 | H262 | 120.0° | 120.0° |
| C31 | C26 | H261 | H263 | 120.0° | 120.0° |
| C31 | C26 | H262 | H263 | 120.0° | 120.1° |
| H231 | C23 | H232 | H233 | 120.0° | 120.0° |
| H261 | C26 | H262 | H263 | 120.0° | 119.9° |
| O8 | C3 | C4 | C11 | 174.6° | 179.7° |
| O8 | C3 | C4 | C2 | 0.3° | 0.0° |
| O8 | C3 | C4 | C5 | 176.8° | 180.0° |
| O8 | C3 | C11 | C10 | 178.8° | 179.7° |
| O8 | C3 | C11 | H11 | 1.2° | 0.0° |
| C3 | C4 | C2 | C5 | 176.6° | 180.0° |
| C3 | C4 | C2 | H21A | 88.0° | 90.0° |
| C3 | C4 | C2 | H22 | 152.0° | 150.0° |
| C3 | C4 | C2 | H23 | 32.0° | 30.0° |
| C3 | C4 | C5 | C9 | 3.8° | 0.0° |
| C3 | C4 | C5 | O10 | 179.9° | 180.0° |
| C4 | C3 | C11 | C10 | 5.1° | 0.6° |
| C4 | C3 | C11 | H11 | 174.9° | 179.8° |
| C11 | C3 | C4 | C2 | 174.2° | 179.7° |
| C11 | C3 | C4 | C5 | 2.3° | 0.3° |
| C3 | C11 | C10 | C9 | 1.9° | 0.6° |
| C3 | C11 | C10 | H11 | 180.0° | 179.7° |
| C3 | C11 | C10 | H10 | 178.1° | 179.7° |
| C4 | C2 | H21A | H22 | 120.0° | 120.0° |
| C4 | C2 | H21A | H23 | 120.0° | 120.0° |
| C4 | C2 | H22 | H23 | 120.0° | 120.0° |
| C2 | C4 | C5 | C9 | 179.5° | 180.0° |
| C2 | C4 | C5 | O10 | 3.3° | 0.0° |
| C5 | C4 | C2 | H21A | 88.5° | 90.0° |
| C5 | C4 | C2 | H22 | 31.4° | 30.0° |
| C5 | C4 | C2 | H23 | 151.4° | 150.0° |
| C4 | C5 | C9 | O10 | 175.8° | 180.0° |
| C4 | C5 | C9 | C10 | 7.0° | 0.0° |
| C4 | C5 | C9 | C8 | 175.5° | 180.0° |
| C4 | C5 | O10 | C6 | 174.2° | 179.9° |
| H21A | C2 | H22 | H23 | 120.0° | 120.0° |
| C5 | C9 | C10 | C8 | 177.4° | 180.0° |
| C5 | C9 | C10 | C11 | 3.9° | 0.3° |
| C5 | C9 | C10 | H10 | 176.1° | 180.0° |
| C9 | C5 | O10 | C6 | 1.9° | 0.1° |
| C5 | C9 | C8 | C7 | 0.2° | 0.0° |
| C5 | C9 | C8 | O9 | 179.9° | 180.0° |
| O10 | C5 | C9 | C10 | 177.2° | 180.0° |
| O10 | C5 | C9 | C8 | 0.3° | 0.0° |
| C5 | O10 | C6 | O11 | 174.4° | 180.0° |
| C5 | O10 | C6 | C7 | 2.8° | 0.1° |
| C9 | C10 | C11 | H10 | 180.0° | 179.7° |
| C9 | C10 | C11 | H11 | 178.1° | 179.8° |
| C10 | C9 | C8 | C7 | 177.6° | 180.0° |
| C10 | C9 | C8 | O9 | 2.5° | 0.0° |
| C8 | C9 | C10 | C11 | 178.7° | 179.7° |
| C8 | C9 | C10 | H10 | 1.3° | 0.0° |
| C9 | C8 | C7 | C6 | 0.8° | 0.0° |
| C9 | C8 | C7 | O9 | 179.9° | 180.0° |
| C9 | C8 | C7 | N2 | 174.0° | 180.0° |
| C9 | C8 | O9 | HO9 | 180.0° | 180.0° |
| H10 | C10 | C11 | H11 | 1.9° | 0.1° |
| O10 | C6 | O11 | C7 | 177.3° | 179.9° |
| O10 | C6 | C7 | C8 | 2.4° | 0.1° |
| O10 | C6 | C7 | N2 | 172.5° | 179.9° |
| O11 | C6 | C7 | C8 | 174.9° | 180.0° |
| O11 | C6 | C7 | N2 | 10.2° | 0.0° |
| C6 | C7 | C8 | N2 | 174.8° | 180.0° |
| C6 | C7 | C8 | O9 | 179.1° | 180.0° |
| C6 | C7 | N2 | C13 | 92.8° | 60.0° |
| C6 | C7 | N2 | HN2 | 87.2° | 120.0° |
| C7 | C8 | O9 | HO9 | 0.1° | 0.0° |
| C8 | C7 | N2 | C13 | 92.1° | 120.0° |
| C8 | C7 | N2 | HN2 | 87.9° | 60.0° |
| N2 | C7 | C8 | O9 | 6.1° | 0.0° |
| C7 | N2 | C13 | HN2 | 180.0° | 180.0° |
| C7 | N2 | C13 | O2 | 179.8° | 4.6° |
| C7 | N2 | C13 | C14 | 1.8° | 175.3° |
| N2 | C13 | O2 | C14 | 178.5° | 180.0° |
| N2 | C13 | C14 | C15 | 53.0° | 180.0° |
| N2 | C13 | C14 | C19 | 129.7° | 0.3° |
| HN2 | N2 | C13 | O2 | 0.2° | 175.4° |
| HN2 | N2 | C13 | C14 | 178.2° | 4.7° |
| O2 | C13 | C14 | C15 | 125.4° | 0.0° |
| O2 | C13 | C14 | C19 | 51.9° | 179.8° |
| C13 | C14 | C15 | C19 | 177.1° | 179.7° |
| C13 | C14 | C15 | C16 | 176.9° | 180.0° |
| C13 | C14 | C15 | H15 | 3.1° | 0.0° |
| C13 | C14 | C19 | C18 | 178.6° | 179.8° |
| C13 | C14 | C19 | H19 | 1.4° | 0.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 1.8° | 0.0° |
| C14 | C15 | C16 | C20 | 177.4° | 180.0° |
| C15 | C14 | C19 | C18 | 1.3° | 0.5° |
| C15 | C14 | C19 | H19 | 178.7° | 179.7° |
| C19 | C14 | C15 | C16 | 0.2° | 0.3° |
| C19 | C14 | C15 | H15 | 179.8° | 179.8° |
| C14 | C19 | C18 | C17 | 1.1° | 0.5° |
| C14 | C19 | C18 | H19 | 180.0° | 179.8° |
| C14 | C19 | C18 | H18 | 178.8° | 179.8° |
| C15 | C16 | C17 | C20 | 175.7° | 180.0° |
| C15 | C16 | C17 | O3 | 178.9° | 180.0° |
| C15 | C16 | C17 | C18 | 2.0° | 0.0° |
| C15 | C16 | C20 | C21 | 91.9° | 100.0° |
| C15 | C16 | C20 | H201 | 148.2° | 140.0° |
| C15 | C16 | C20 | H202 | 28.2° | 20.0° |
| H15 | C15 | C16 | C17 | 178.2° | 180.0° |
| H15 | C15 | C16 | C20 | 2.6° | 0.0° |
| C16 | C17 | O3 | C18 | 179.2° | 180.0° |
| C16 | C17 | O3 | HO3 | 180.0° | 90.0° |
| C16 | C17 | C18 | C19 | 0.5° | 0.2° |
| C16 | C17 | C18 | H18 | 179.5° | 180.0° |
| C17 | C16 | C20 | C21 | 83.7° | 80.0° |
| C17 | C16 | C20 | H201 | 36.2° | 39.9° |
| C17 | C16 | C20 | H202 | 156.3° | 160.0° |
| C20 | C16 | C17 | O3 | 3.2° | 0.0° |
| C20 | C16 | C17 | C18 | 177.7° | 180.0° |
| C16 | C20 | C21 | H201 | 120.0° | 120.0° |
| C16 | C20 | C21 | H202 | 120.0° | 120.1° |
| C16 | C20 | H201 | H202 | 117.5° | 120.1° |
| C16 | C20 | C21 | C22 | 111.4° | 116.9° |
| C16 | C20 | C21 | H21 | 68.6° | 63.0° |
| O3 | C17 | C18 | C19 | 179.6° | 179.8° |
| O3 | C17 | C18 | H18 | 0.4° | 0.0° |
| C18 | C17 | O3 | HO3 | 0.9° | 90.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.7° |
| C17 | C18 | C19 | H19 | 178.9° | 179.7° |
| H18 | C18 | C19 | H19 | 1.1° | 0.0° |
| C21 | C20 | H201 | H202 | 117.5° | 120.0° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C24 | 179.0° | 6.6° |
| C20 | C21 | C22 | C25 | 1.7° | 173.4° |
| H201 | C20 | C21 | C22 | 128.6° | 123.1° |
| H201 | C20 | C21 | H21 | 51.4° | 56.9° |
| H202 | C20 | C21 | C22 | 8.6° | 3.1° |
| H202 | C20 | C21 | H21 | 171.4° | 176.9° |
| C21 | C22 | C24 | C25 | 179.4° | 180.0° |
| C21 | C22 | C24 | H241 | 180.0° | 5.3° |
| C21 | C22 | C24 | H242 | 60.0° | 125.2° |
| C21 | C22 | C24 | H243 | 60.0° | 114.8° |
| C21 | C22 | C25 | H251 | 180.0° | 90.0° |
| C21 | C22 | C25 | H252 | 60.0° | 150.0° |
| C21 | C22 | C25 | H253 | 60.0° | 30.0° |
| H21 | C21 | C22 | C24 | 1.0° | 173.4° |
| H21 | C21 | C22 | C25 | 178.3° | 6.6° |
| C22 | C24 | H241 | H242 | 120.0° | 119.9° |
| C22 | C24 | H241 | H243 | 120.0° | 120.1° |
| C22 | C24 | H242 | H243 | 120.0° | 120.0° |
| C24 | C22 | C25 | H251 | 0.6° | 90.0° |
| C24 | C22 | C25 | H252 | 119.4° | 30.0° |
| C24 | C22 | C25 | H253 | 120.6° | 150.0° |
| C25 | C22 | C24 | H241 | 0.6° | 174.7° |
| C25 | C22 | C24 | H242 | 120.6° | 54.8° |
| C25 | C22 | C24 | H243 | 119.4° | 65.2° |
| C22 | C25 | H251 | H252 | 120.0° | 120.0° |
| C22 | C25 | H251 | H253 | 120.0° | 120.0° |
| C22 | C25 | H252 | H253 | 120.0° | 120.0° |
| H241 | C24 | H242 | H243 | 120.0° | 120.0° |
| H251 | C25 | H252 | H253 | 120.0° | 120.0° |
