HWV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.50Å | |
| C1 | N | sing | 1.47Å | 1.46Å | |
| O | C2 | doub | 1.22Å | 1.23Å | |
| N | C2 | sing | 1.35Å | 1.33Å | |
| C2 | C3 | sing | 1.47Å | 1.47Å | |
| C24 | C23 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | doub | 1.36Å | 1.37Å | Aromatic |
| C3 | N2 | sing | 1.37Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.42Å | Aromatic |
| N2 | C10 | sing | 1.37Å | 1.37Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.37Å | Aromatic |
| C27 | C25 | sing | 1.53Å | 1.53Å | |
| C5 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.47Å | 1.45Å | |
| C10 | C9 | sing | 1.41Å | 1.44Å | |
| O2 | C17 | sing | 1.36Å | 1.39Å | |
| O2 | C16 | sing | 1.36Å | 1.40Å | |
| C17 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | F | sing | 1.35Å | 1.36Å | |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C6 | sing | 1.48Å | 1.49Å | |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C25 | sing | 1.51Å | 1.53Å | |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C7 | doub | 1.36Å | 1.37Å | |
| C25 | O3 | sing | 1.43Å | 1.44Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C9 | O1 | doub | 1.22Å | 1.23Å | |
| C9 | N1 | sing | 1.34Å | 1.40Å | |
| C18 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C7 | N1 | sing | 1.36Å | 1.37Å | |
| N1 | C8 | sing | 1.47Å | 1.46Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H8 | sing | 1.08Å | 1.08Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| N | H15 | sing | 0.97Å | 1.00Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.08Å | 1.08Å | |
| C14 | H22 | sing | 1.08Å | 1.08Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| N2 | H29 | sing | 0.97Å | 1.00Å | |
| O3 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | N | 111.4° | 109.5° |
| C1 | C | H16 | 109.5° | 109.4° |
| C1 | C | H17 | 109.5° | 109.4° |
| C1 | C | H18 | 109.5° | 109.4° |
| C | C1 | H19 | 109.0° | 109.5° |
| C | C1 | H20 | 109.0° | 109.5° |
| C1 | N | C2 | 123.0° | 120.0° |
| C1 | N | H15 | 118.5° | 120.0° |
| N | C1 | H19 | 109.0° | 109.5° |
| N | C1 | H20 | 109.0° | 109.4° |
| O | C2 | N | 122.9° | 120.0° |
| O | C2 | C3 | 120.4° | 120.0° |
| N | C2 | C3 | 116.5° | 120.0° |
| C2 | N | H15 | 118.5° | 120.0° |
| C2 | C3 | C4 | 125.3° | 125.5° |
| C2 | C3 | N2 | 126.5° | 125.5° |
| C24 | C23 | C22 | 120.4° | 120.0° |
| C24 | C23 | C17 | 122.2° | 120.0° |
| C23 | C24 | H9 | 109.5° | 109.5° |
| C23 | C24 | H10 | 109.5° | 109.4° |
| C23 | C24 | H11 | 109.5° | 109.4° |
| C4 | C3 | N2 | 108.2° | 108.9° |
| C3 | C4 | C5 | 108.3° | 107.6° |
| C3 | C4 | H1 | 125.9° | 126.2° |
| C3 | N2 | C10 | 109.5° | 108.8° |
| C3 | N2 | H29 | 125.3° | 125.6° |
| C4 | C5 | C10 | 106.4° | 107.2° |
| C4 | C5 | C6 | 137.2° | 134.2° |
| C5 | C4 | H1 | 125.9° | 126.2° |
| N2 | C10 | C5 | 107.7° | 107.5° |
| N2 | C10 | C9 | 126.6° | 133.8° |
| C10 | N2 | H29 | 125.2° | 125.6° |
| C22 | C23 | C17 | 117.4° | 120.0° |
| C23 | C22 | C21 | 119.2° | 120.0° |
| C23 | C22 | H8 | 120.4° | 120.0° |
| C23 | C17 | O2 | 118.3° | 120.0° |
| C23 | C17 | C18 | 123.3° | 119.9° |
| C22 | C21 | F | 118.2° | 120.0° |
| C22 | C21 | C20 | 123.6° | 120.1° |
| C21 | C22 | H8 | 120.4° | 120.0° |
| C27 | C25 | C13 | 110.9° | 109.5° |
| C27 | C25 | O3 | 106.6° | 109.5° |
| C27 | C25 | C26 | 110.1° | 109.5° |
| C25 | C27 | H26 | 109.5° | 109.5° |
| C25 | C27 | H27 | 109.5° | 109.5° |
| C25 | C27 | H28 | 109.5° | 109.5° |
| C10 | C5 | C6 | 116.3° | 118.5° |
| C5 | C10 | C9 | 125.6° | 118.8° |
| C5 | C6 | C11 | 120.1° | 120.6° |
| C5 | C6 | C7 | 118.4° | 118.7° |
| C10 | C9 | O1 | 126.5° | 119.7° |
| C10 | C9 | N1 | 113.4° | 120.6° |
| C17 | O2 | C16 | 122.0° | 118.0° |
| O2 | C17 | C18 | 118.4° | 120.0° |
| O2 | C16 | C15 | 121.2° | 120.1° |
| O2 | C16 | C11 | 118.1° | 120.1° |
| C17 | C18 | C20 | 117.4° | 120.0° |
| C17 | C18 | C19 | 122.3° | 120.0° |
| C16 | C15 | C14 | 119.9° | 120.1° |
| C15 | C16 | C11 | 120.7° | 119.8° |
| C16 | C15 | H6 | 120.0° | 120.0° |
| C15 | C14 | C13 | 121.3° | 120.3° |
| C14 | C15 | H6 | 120.1° | 120.0° |
| C15 | C14 | H22 | 119.3° | 119.8° |
| F | C21 | C20 | 118.2° | 120.0° |
| C21 | C20 | C18 | 119.1° | 120.0° |
| C21 | C20 | H7 | 120.4° | 120.0° |
| C16 | C11 | C6 | 120.6° | 120.2° |
| C16 | C11 | C12 | 118.1° | 119.7° |
| C14 | C13 | C25 | 120.0° | 119.8° |
| C14 | C13 | C12 | 118.2° | 120.3° |
| C13 | C14 | H22 | 119.4° | 119.9° |
| C6 | C11 | C12 | 121.3° | 120.1° |
| C11 | C6 | C7 | 121.5° | 120.6° |
| C11 | C12 | C13 | 121.8° | 119.9° |
| C11 | C12 | H21 | 119.1° | 120.1° |
| C25 | C13 | C12 | 121.8° | 119.9° |
| C13 | C25 | O3 | 110.5° | 109.5° |
| C13 | C25 | C26 | 112.1° | 109.5° |
| C13 | C12 | H21 | 119.1° | 120.1° |
| C6 | C7 | N1 | 123.7° | 121.1° |
| C6 | C7 | H2 | 118.1° | 119.5° |
| O3 | C25 | C26 | 106.3° | 109.5° |
| C25 | O3 | H30 | 109.5° | 114.0° |
| C25 | C26 | H12 | 109.5° | 109.4° |
| C25 | C26 | H13 | 109.5° | 109.5° |
| C25 | C26 | H14 | 109.5° | 109.5° |
| O1 | C9 | N1 | 120.1° | 119.7° |
| C9 | N1 | C7 | 122.6° | 122.3° |
| C9 | N1 | C8 | 117.3° | 118.9° |
| C20 | C18 | C19 | 120.1° | 120.0° |
| C18 | C20 | H7 | 120.4° | 120.0° |
| C18 | C19 | H23 | 109.5° | 109.5° |
| C18 | C19 | H24 | 109.5° | 109.5° |
| C18 | C19 | H25 | 109.5° | 109.5° |
| C7 | N1 | C8 | 120.0° | 118.8° |
| N1 | C7 | H2 | 118.2° | 119.4° |
| N1 | C8 | H3 | 109.5° | 109.4° |
| N1 | C8 | H4 | 109.5° | 109.4° |
| N1 | C8 | H5 | 109.4° | 109.5° |
| H3 | C8 | H4 | 109.5° | 109.5° |
| H3 | C8 | H5 | 109.5° | 109.5° |
| H4 | C8 | H5 | 109.5° | 109.5° |
| H9 | C24 | H10 | 109.4° | 109.5° |
| H9 | C24 | H11 | 109.5° | 109.5° |
| H10 | C24 | H11 | 109.5° | 109.5° |
| H12 | C26 | H13 | 109.5° | 109.5° |
| H12 | C26 | H14 | 109.5° | 109.4° |
| H13 | C26 | H14 | 109.4° | 109.5° |
| H16 | C | H17 | 109.5° | 109.5° |
| H16 | C | H18 | 109.5° | 109.5° |
| H17 | C | H18 | 109.4° | 109.5° |
| H19 | C1 | H20 | 109.4° | 109.5° |
| H23 | C19 | H24 | 109.4° | 109.5° |
| H23 | C19 | H25 | 109.5° | 109.5° |
| H24 | C19 | H25 | 109.5° | 109.4° |
| H26 | C27 | H27 | 109.5° | 109.5° |
| H26 | C27 | H28 | 109.5° | 109.4° |
| H27 | C27 | H28 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | N | H19 | 120.3° | 120.0° |
| C | C1 | N | H20 | 120.3° | 120.0° |
| C | C1 | N | C2 | 170.2° | 180.0° |
| C | C1 | N | H15 | 9.8° | 0.0° |
| C1 | C | H16 | H17 | 120.0° | 120.0° |
| C1 | C | H16 | H18 | 120.0° | 120.0° |
| C1 | C | H17 | H18 | 120.0° | 120.0° |
| C | C1 | H19 | H20 | 119.1° | 120.0° |
| C1 | N | C2 | O | 2.0° | 0.0° |
| C1 | N | C2 | H15 | 180.0° | 179.9° |
| C1 | N | C2 | C3 | 178.6° | 180.0° |
| N | C1 | C | H16 | 180.0° | 180.0° |
| N | C1 | C | H17 | 60.0° | 60.0° |
| N | C1 | C | H18 | 60.0° | 60.0° |
| N | C1 | H19 | H20 | 119.1° | 120.0° |
| O | C2 | N | C3 | 176.6° | 180.0° |
| O | C2 | C3 | C4 | 10.5° | 0.0° |
| O | C2 | C3 | N2 | 171.8° | 179.6° |
| O | C2 | N | H15 | 178.0° | 180.0° |
| N | C2 | C3 | C4 | 172.9° | 179.9° |
| N | C2 | C3 | N2 | 4.8° | 0.4° |
| C2 | N | C1 | H19 | 69.5° | 60.0° |
| C2 | N | C1 | H20 | 49.9° | 60.0° |
| C2 | C3 | C4 | N2 | 178.1° | 179.7° |
| C2 | C3 | C4 | C5 | 177.4° | 180.0° |
| C2 | C3 | N2 | C10 | 177.8° | 179.9° |
| C2 | C3 | C4 | H1 | 2.6° | 0.3° |
| C3 | C2 | N | H15 | 1.4° | 0.0° |
| C2 | C3 | N2 | H29 | 2.2° | 0.1° |
| C24 | C23 | C22 | C17 | 177.3° | 179.9° |
| C24 | C23 | C22 | C21 | 177.2° | 179.9° |
| C24 | C23 | C17 | O2 | 3.1° | 0.2° |
| C24 | C23 | C17 | C18 | 176.1° | 179.9° |
| C24 | C23 | C22 | H8 | 2.8° | 0.1° |
| C23 | C24 | H9 | H10 | 120.0° | 120.0° |
| C23 | C24 | H9 | H11 | 120.0° | 119.9° |
| C23 | C24 | H10 | H11 | 120.0° | 119.9° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C4 | C3 | N2 | C10 | 0.3° | 0.1° |
| C3 | C4 | C5 | C10 | 0.8° | 0.3° |
| C3 | C4 | C5 | C6 | 174.5° | 179.9° |
| C4 | C3 | N2 | H29 | 179.7° | 179.8° |
| N2 | C3 | C4 | C5 | 0.7° | 0.3° |
| C3 | N2 | C10 | H29 | 180.0° | 179.9° |
| C3 | N2 | C10 | C5 | 0.2° | 0.1° |
| C3 | N2 | C10 | C9 | 177.4° | 179.7° |
| N2 | C3 | C4 | H1 | 179.4° | 180.0° |
| C4 | C5 | C10 | N2 | 0.6° | 0.2° |
| C4 | C5 | C10 | C6 | 176.5° | 179.8° |
| C4 | C5 | C10 | C9 | 177.9° | 180.0° |
| C4 | C5 | C6 | C11 | 2.0° | 0.2° |
| C4 | C5 | C6 | C7 | 174.2° | 180.0° |
| N2 | C10 | C5 | C9 | 177.2° | 179.7° |
| N2 | C10 | C5 | C6 | 175.8° | 180.0° |
| N2 | C10 | C9 | O1 | 6.8° | 0.3° |
| N2 | C10 | C9 | N1 | 174.3° | 179.7° |
| C23 | C22 | C21 | H8 | 180.0° | 180.0° |
| C22 | C23 | C17 | O2 | 179.6° | 179.7° |
| C22 | C23 | C17 | C18 | 1.1° | 0.0° |
| C23 | C22 | C21 | F | 179.7° | 179.9° |
| C23 | C22 | C21 | C20 | 0.1° | 0.0° |
| C22 | C23 | C24 | H9 | 88.7° | 89.9° |
| C22 | C23 | C24 | H10 | 151.4° | 150.0° |
| C22 | C23 | C24 | H11 | 31.4° | 30.1° |
| C17 | C23 | C22 | C21 | 0.1° | 0.0° |
| C23 | C17 | O2 | C18 | 179.3° | 179.7° |
| C23 | C17 | O2 | C16 | 89.6° | 90.3° |
| C23 | C17 | C18 | C20 | 1.8° | 0.0° |
| C23 | C17 | C18 | C19 | 173.5° | 180.0° |
| C17 | C23 | C22 | H8 | 179.9° | 180.0° |
| C17 | C23 | C24 | H9 | 88.5° | 90.0° |
| C17 | C23 | C24 | H10 | 31.4° | 30.1° |
| C17 | C23 | C24 | H11 | 151.4° | 150.0° |
| C22 | C21 | F | C20 | 179.6° | 179.9° |
| C22 | C21 | C20 | C18 | 0.6° | 0.1° |
| C22 | C21 | C20 | H7 | 179.4° | 180.0° |
| C27 | C25 | C13 | C14 | 55.0° | 89.7° |
| C27 | C25 | C13 | O3 | 118.0° | 120.0° |
| C27 | C25 | C13 | C26 | 123.6° | 120.0° |
| C27 | C25 | C13 | C12 | 122.5° | 90.0° |
| C27 | C25 | O3 | C26 | 117.5° | 120.0° |
| C27 | C25 | C26 | H12 | 180.0° | 60.0° |
| C27 | C25 | C26 | H13 | 60.0° | 60.0° |
| C27 | C25 | C26 | H14 | 60.0° | 180.0° |
| C25 | C27 | H26 | H27 | 120.0° | 120.1° |
| C25 | C27 | H26 | H28 | 120.0° | 120.0° |
| C25 | C27 | H27 | H28 | 120.0° | 120.0° |
| C27 | C25 | O3 | H30 | 180.0° | 180.0° |
| C10 | C5 | C6 | C11 | 177.1° | 180.0° |
| C10 | C5 | C6 | C7 | 0.9° | 0.2° |
| C5 | C10 | C9 | O1 | 176.5° | 180.0° |
| C5 | C10 | C9 | N1 | 2.4° | 0.0° |
| C10 | C5 | C4 | H1 | 179.2° | 180.0° |
| C5 | C10 | N2 | H29 | 179.7° | 180.0° |
| C6 | C5 | C10 | C9 | 1.4° | 0.2° |
| C5 | C6 | C11 | C16 | 53.2° | 105.0° |
| C5 | C6 | C11 | C7 | 176.1° | 179.8° |
| C5 | C6 | C11 | C12 | 127.6° | 75.0° |
| C5 | C6 | C7 | N1 | 2.0° | 0.0° |
| C6 | C5 | C4 | H1 | 5.4° | 0.2° |
| C5 | C6 | C7 | H2 | 178.0° | 180.0° |
| C10 | C9 | O1 | N1 | 178.8° | 180.0° |
| C10 | C9 | N1 | C7 | 1.2° | 0.2° |
| C10 | C9 | N1 | C8 | 178.4° | 180.0° |
| C9 | C10 | N2 | H29 | 2.6° | 0.4° |
| C17 | O2 | C16 | C15 | 12.9° | 0.0° |
| C17 | O2 | C16 | C11 | 167.4° | 179.7° |
| O2 | C17 | C18 | C20 | 178.9° | 179.7° |
| O2 | C17 | C18 | C19 | 5.7° | 0.3° |
| C16 | O2 | C17 | C18 | 91.1° | 90.0° |
| O2 | C16 | C15 | C11 | 179.7° | 179.7° |
| O2 | C16 | C15 | C14 | 179.5° | 180.0° |
| O2 | C16 | C11 | C6 | 1.4° | 0.0° |
| O2 | C16 | C11 | C12 | 179.3° | 180.0° |
| O2 | C16 | C15 | H6 | 0.5° | 0.2° |
| C17 | C18 | C20 | C21 | 1.5° | 0.0° |
| C17 | C18 | C20 | C19 | 175.5° | 180.0° |
| C17 | C18 | C20 | H7 | 178.5° | 180.0° |
| C17 | C18 | C19 | H23 | 87.5° | 90.0° |
| C17 | C18 | C19 | H24 | 152.5° | 150.0° |
| C17 | C18 | C19 | H25 | 32.5° | 30.0° |
| C16 | C15 | C14 | H6 | 180.0° | 179.8° |
| C16 | C15 | C14 | C13 | 0.4° | 0.0° |
| C15 | C16 | C11 | C6 | 178.9° | 179.8° |
| C15 | C16 | C11 | C12 | 0.4° | 0.3° |
| C16 | C15 | C14 | H22 | 179.6° | 180.0° |
| C14 | C15 | C16 | C11 | 0.2° | 0.2° |
| C15 | C14 | C13 | H22 | 180.0° | 180.0° |
| C15 | C14 | C13 | C25 | 176.9° | 180.0° |
| C15 | C14 | C13 | C12 | 0.7° | 0.3° |
| F | C21 | C20 | C18 | 179.0° | 180.0° |
| F | C21 | C20 | H7 | 1.0° | 0.1° |
| F | C21 | C22 | H8 | 0.2° | 0.0° |
| C21 | C20 | C18 | H7 | 180.0° | 179.9° |
| C21 | C20 | C18 | C19 | 174.0° | 180.0° |
| C20 | C21 | C22 | H8 | 179.8° | 179.9° |
| C16 | C11 | C6 | C12 | 179.3° | 180.0° |
| C16 | C11 | C12 | C13 | 0.0° | 0.0° |
| C16 | C11 | C6 | C7 | 122.9° | 75.3° |
| C11 | C16 | C15 | H6 | 179.8° | 180.0° |
| C16 | C11 | C12 | H21 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.5° | 0.2° |
| C14 | C13 | C25 | C12 | 177.6° | 179.8° |
| C14 | C13 | C25 | O3 | 173.1° | 150.3° |
| C14 | C13 | C25 | C26 | 68.5° | 30.3° |
| C13 | C14 | C15 | H6 | 179.6° | 179.8° |
| C14 | C13 | C12 | H21 | 179.5° | 179.7° |
| C6 | C11 | C12 | C13 | 179.2° | 180.0° |
| C11 | C6 | C7 | N1 | 178.2° | 179.8° |
| C11 | C6 | C7 | H2 | 1.9° | 0.2° |
| C6 | C11 | C12 | H21 | 0.8° | 0.0° |
| C11 | C12 | C13 | C25 | 177.1° | 180.0° |
| C11 | C12 | C13 | H21 | 180.0° | 180.0° |
| C12 | C11 | C6 | C7 | 56.4° | 104.8° |
| C13 | C25 | O3 | C26 | 121.9° | 120.0° |
| C13 | C25 | C26 | H12 | 56.0° | 60.0° |
| C13 | C25 | C26 | H13 | 64.0° | 180.0° |
| C13 | C25 | C26 | H14 | 176.0° | 60.0° |
| C25 | C13 | C12 | H21 | 2.9° | 0.0° |
| C25 | C13 | C14 | H22 | 3.1° | 0.0° |
| C13 | C25 | C27 | H26 | 180.0° | 59.9° |
| C13 | C25 | C27 | H27 | 60.0° | 180.0° |
| C13 | C25 | C27 | H28 | 60.0° | 60.0° |
| C13 | C25 | O3 | H30 | 59.4° | 60.0° |
| C12 | C13 | C25 | O3 | 4.5° | 30.0° |
| C12 | C13 | C25 | C26 | 113.9° | 150.0° |
| C12 | C13 | C14 | H22 | 179.3° | 179.8° |
| C6 | C7 | N1 | C9 | 0.9° | 0.2° |
| C6 | C7 | N1 | H2 | 180.0° | 180.0° |
| C6 | C7 | N1 | C8 | 179.5° | 180.0° |
| O3 | C25 | C26 | H12 | 64.9° | 180.0° |
| O3 | C25 | C26 | H13 | 175.1° | 60.0° |
| O3 | C25 | C26 | H14 | 55.1° | 60.0° |
| O3 | C25 | C27 | H26 | 59.6° | 60.0° |
| O3 | C25 | C27 | H27 | 179.6° | 60.0° |
| O3 | C25 | C27 | H28 | 60.4° | 180.0° |
| C25 | C26 | H12 | H13 | 120.0° | 120.0° |
| C25 | C26 | H12 | H14 | 120.0° | 120.0° |
| C25 | C26 | H13 | H14 | 120.0° | 120.0° |
| C26 | C25 | C27 | H26 | 55.3° | 180.0° |
| C26 | C25 | C27 | H27 | 64.7° | 60.0° |
| C26 | C25 | C27 | H28 | 175.3° | 60.0° |
| C26 | C25 | O3 | H30 | 62.5° | 60.0° |
| O1 | C9 | N1 | C7 | 177.7° | 179.8° |
| O1 | C9 | N1 | C8 | 2.7° | 0.0° |
| C9 | N1 | C7 | C8 | 179.6° | 179.8° |
| C9 | N1 | C7 | H2 | 179.1° | 179.8° |
| C9 | N1 | C8 | H3 | 180.0° | 89.8° |
| C9 | N1 | C8 | H4 | 60.0° | 30.3° |
| C9 | N1 | C8 | H5 | 60.0° | 150.2° |
| C20 | C18 | C19 | H23 | 87.7° | 90.0° |
| C20 | C18 | C19 | H24 | 32.2° | 30.0° |
| C20 | C18 | C19 | H25 | 152.3° | 149.9° |
| C19 | C18 | C20 | H7 | 6.1° | 0.0° |
| C18 | C19 | H23 | H24 | 120.0° | 120.0° |
| C18 | C19 | H23 | H25 | 120.0° | 120.0° |
| C18 | C19 | H24 | H25 | 120.0° | 120.0° |
| C7 | N1 | C8 | H3 | 0.3° | 90.0° |
| C7 | N1 | C8 | H4 | 120.4° | 150.0° |
| C7 | N1 | C8 | H5 | 119.6° | 30.0° |
| C8 | N1 | C7 | H2 | 0.5° | 0.0° |
| N1 | C8 | H3 | H4 | 120.0° | 120.0° |
| N1 | C8 | H3 | H5 | 120.0° | 120.0° |
| N1 | C8 | H4 | H5 | 120.0° | 120.0° |
| H3 | C8 | H4 | H5 | 120.0° | 120.0° |
| H6 | C15 | C14 | H22 | 0.4° | 0.2° |
| H9 | C24 | H10 | H11 | 120.0° | 120.0° |
| H12 | C26 | H13 | H14 | 120.0° | 120.0° |
| H15 | N | C1 | H19 | 110.5° | 120.0° |
| H15 | N | C1 | H20 | 130.1° | 120.0° |
| H16 | C | H17 | H18 | 120.0° | 120.1° |
| H16 | C | C1 | H19 | 59.7° | 60.0° |
| H16 | C | C1 | H20 | 59.7° | 60.0° |
| H17 | C | C1 | H19 | 60.3° | 180.0° |
| H17 | C | C1 | H20 | 179.7° | 60.0° |
| H18 | C | C1 | H19 | 179.7° | 60.0° |
| H18 | C | C1 | H20 | 60.3° | 180.0° |
| H23 | C19 | H24 | H25 | 120.0° | 120.0° |
| H26 | C27 | H27 | H28 | 120.0° | 119.9° |
