45B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C13 | sing | 1.74Å | 1.79Å | |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | N1 | sing | 1.40Å | 1.40Å | |
| N1 | C7 | sing | 1.35Å | 1.34Å | |
| C7 | O2 | doub | 1.22Å | 1.22Å | |
| C7 | C6 | sing | 1.47Å | 1.50Å | |
| C6 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | N5 | sing | 1.39Å | 1.41Å | |
| N5 | C1 | sing | 1.39Å | 1.34Å | |
| C1 | N6 | doub | 1.33Å | 1.34Å | Aromatic |
| C1 | C16 | sing | 1.40Å | 1.33Å | Aromatic |
| N6 | C5 | sing | 1.32Å | 1.45Å | Aromatic |
| C16 | F4 | sing | 1.35Å | 1.32Å | |
| C16 | C17 | doub | 1.38Å | 1.34Å | Aromatic |
| C17 | N4 | sing | 1.33Å | 1.33Å | Aromatic |
| N4 | C5 | doub | 1.32Å | 1.44Å | Aromatic |
| C5 | N8 | sing | 1.39Å | 1.46Å | |
| N8 | C | sing | 1.40Å | 1.37Å | |
| C | C30 | doub | 1.39Å | 1.39Å | Aromatic |
| C | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.51Å | 1.54Å | |
| C22 | O1 | doub | 1.21Å | 1.23Å | |
| C22 | N | sing | 1.35Å | 1.36Å | |
| N | C28 | sing | 1.47Å | 1.46Å | |
| N | C23 | sing | 1.47Å | 1.47Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | C24 | sing | 1.47Å | 1.46Å | |
| N2 | C25 | sing | 1.35Å | 1.35Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C25 | O3 | doub | 1.21Å | 1.22Å | |
| C25 | C26 | sing | 1.51Å | 1.50Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| N8 | HN8 | sing | 0.97Å | 1.00Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C13 | C12 | 120.0° | 120.0° |
| CL1 | C13 | C8 | 118.7° | 120.0° |
| C12 | C13 | C8 | 121.3° | 119.9° |
| C13 | C12 | C11 | 119.6° | 120.0° |
| C13 | C12 | H12 | 120.2° | 120.0° |
| C13 | C8 | C9 | 119.4° | 119.8° |
| C13 | C8 | N1 | 120.1° | 120.1° |
| C12 | C11 | C10 | 119.6° | 120.2° |
| C11 | C12 | H12 | 120.2° | 120.0° |
| C12 | C11 | H11 | 120.2° | 119.9° |
| C11 | C10 | C9 | 120.4° | 120.1° |
| C10 | C11 | H11 | 120.2° | 119.9° |
| C11 | C10 | H10 | 119.8° | 119.9° |
| C10 | C9 | C8 | 119.8° | 119.9° |
| C9 | C10 | H10 | 119.8° | 120.0° |
| C10 | C9 | H9 | 120.1° | 120.0° |
| C9 | C8 | N1 | 120.6° | 120.1° |
| C8 | C9 | H9 | 120.1° | 120.1° |
| C8 | N1 | C7 | 122.9° | 120.0° |
| C8 | N1 | HN1 | 118.6° | 120.0° |
| N1 | C7 | O2 | 123.1° | 120.0° |
| N1 | C7 | C6 | 117.9° | 120.0° |
| C7 | N1 | HN1 | 118.5° | 120.0° |
| O2 | C7 | C6 | 119.0° | 120.0° |
| C7 | C6 | C4 | 120.7° | 120.1° |
| C7 | C6 | C14 | 120.5° | 120.1° |
| C4 | C6 | C14 | 118.8° | 119.8° |
| C6 | C4 | C3 | 120.3° | 120.0° |
| C6 | C4 | H4 | 119.9° | 120.0° |
| C6 | C14 | C15 | 120.9° | 120.0° |
| C6 | C14 | H14 | 119.5° | 120.0° |
| C4 | C3 | C2 | 120.8° | 120.0° |
| C3 | C4 | H4 | 119.8° | 120.0° |
| C4 | C3 | H3 | 119.6° | 120.0° |
| C3 | C2 | C15 | 119.1° | 120.1° |
| C3 | C2 | N5 | 121.8° | 120.0° |
| C2 | C3 | H3 | 119.6° | 120.0° |
| C14 | C15 | C2 | 120.1° | 120.1° |
| C15 | C14 | H14 | 119.6° | 120.0° |
| C14 | C15 | H15 | 119.9° | 120.0° |
| C15 | C2 | N5 | 119.2° | 119.9° |
| C2 | C15 | H15 | 119.9° | 119.9° |
| C2 | N5 | C1 | 122.8° | 120.0° |
| C2 | N5 | HN5 | 118.6° | 120.0° |
| N5 | C1 | N6 | 123.0° | 120.5° |
| N5 | C1 | C16 | 116.5° | 120.5° |
| C1 | N5 | HN5 | 118.6° | 120.0° |
| N6 | C1 | C16 | 120.4° | 119.0° |
| C1 | N6 | C5 | 120.4° | 120.7° |
| C1 | C16 | F4 | 120.1° | 120.8° |
| C1 | C16 | C17 | 121.5° | 118.4° |
| N6 | C5 | N4 | 113.6° | 121.7° |
| N6 | C5 | N8 | 125.3° | 119.2° |
| F4 | C16 | C17 | 118.3° | 120.8° |
| C16 | C17 | N4 | 121.5° | 119.3° |
| C16 | C17 | H17 | 119.2° | 120.4° |
| C17 | N4 | C5 | 119.7° | 121.0° |
| N4 | C17 | H17 | 119.2° | 120.4° |
| N4 | C5 | N8 | 115.9° | 119.2° |
| C5 | N8 | C | 129.0° | 120.0° |
| C5 | N8 | HN8 | 115.5° | 120.0° |
| N8 | C | C30 | 116.4° | 120.1° |
| N8 | C | C18 | 126.3° | 120.1° |
| C | N8 | HN8 | 115.5° | 120.0° |
| C30 | C | C18 | 117.2° | 119.8° |
| C | C30 | C29 | 121.5° | 119.9° |
| C | C30 | H30 | 119.3° | 120.1° |
| C | C18 | C19 | 121.3° | 119.9° |
| C | C18 | H18 | 119.4° | 120.0° |
| C30 | C29 | C20 | 120.7° | 120.1° |
| C29 | C30 | H30 | 119.2° | 120.0° |
| C30 | C29 | H29 | 119.6° | 120.0° |
| C29 | C20 | C19 | 118.4° | 120.1° |
| C29 | C20 | C21 | 120.3° | 119.9° |
| C20 | C29 | H29 | 119.6° | 120.0° |
| C19 | C20 | C21 | 121.3° | 119.9° |
| C20 | C19 | C18 | 120.8° | 120.1° |
| C20 | C19 | H19 | 119.6° | 119.9° |
| C20 | C21 | C22 | 109.5° | 109.5° |
| C20 | C21 | H21 | 109.5° | 109.5° |
| C20 | C21 | H21A | 109.5° | 109.5° |
| C18 | C19 | H19 | 119.6° | 120.0° |
| C19 | C18 | H18 | 119.3° | 120.0° |
| C21 | C22 | O1 | 117.3° | 120.0° |
| C21 | C22 | N | 122.3° | 120.0° |
| C22 | C21 | H21 | 109.5° | 109.5° |
| C22 | C21 | H21A | 109.5° | 109.4° |
| O1 | C22 | N | 120.4° | 120.0° |
| C22 | N | C28 | 121.5° | 120.6° |
| C22 | N | C23 | 127.6° | 120.6° |
| C28 | N | C23 | 110.9° | 118.8° |
| N | C28 | C27 | 104.5° | 108.6° |
| N | C28 | H28 | 111.2° | 109.6° |
| N | C28 | H28A | 112.2° | 109.6° |
| N | C23 | C24 | 108.8° | 108.9° |
| N | C23 | H23 | 109.7° | 109.6° |
| N | C23 | H23A | 109.8° | 109.6° |
| C28 | C27 | N2 | 105.3° | 108.6° |
| C27 | C28 | H28 | 111.1° | 109.6° |
| C27 | C28 | H28A | 112.2° | 109.6° |
| C28 | C27 | H27 | 110.9° | 109.6° |
| C28 | C27 | H27A | 111.8° | 109.6° |
| C27 | N2 | C24 | 111.9° | 118.8° |
| C27 | N2 | C25 | 124.5° | 120.6° |
| N2 | C27 | H27 | 110.9° | 109.6° |
| N2 | C27 | H27A | 111.8° | 109.6° |
| C24 | N2 | C25 | 123.6° | 120.6° |
| N2 | C24 | C23 | 107.9° | 108.7° |
| N2 | C24 | H24 | 110.0° | 109.6° |
| N2 | C24 | H24A | 110.3° | 109.7° |
| N2 | C25 | O3 | 122.8° | 120.0° |
| N2 | C25 | C26 | 118.0° | 120.0° |
| C23 | C24 | H24 | 110.0° | 109.7° |
| C23 | C24 | H24A | 110.3° | 109.5° |
| C24 | C23 | H23 | 109.7° | 109.5° |
| C24 | C23 | H23A | 109.8° | 109.5° |
| O3 | C25 | C26 | 119.2° | 120.0° |
| C25 | C26 | H26 | 109.5° | 109.5° |
| C25 | C26 | H26A | 109.5° | 109.5° |
| C25 | C26 | H26B | 109.5° | 109.5° |
| H21 | C21 | H21A | 109.5° | 109.4° |
| H28 | C28 | H28A | 105.7° | 109.7° |
| H27 | C27 | H27A | 106.3° | 109.7° |
| H24 | C24 | H24A | 108.3° | 109.7° |
| H23 | C23 | H23A | 109.0° | 109.7° |
| H26 | C26 | H26A | 109.5° | 109.5° |
| H26 | C26 | H26B | 109.5° | 109.5° |
| H26A | C26 | H26B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C13 | C12 | C8 | 179.9° | 179.8° |
| CL1 | C13 | C12 | C11 | 179.6° | 180.0° |
| CL1 | C13 | C8 | C9 | 179.5° | 179.7° |
| CL1 | C13 | C8 | N1 | 0.1° | 0.0° |
| CL1 | C13 | C12 | H12 | 0.4° | 0.0° |
| C13 | C12 | C11 | H12 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.3° | 0.0° |
| C12 | C13 | C8 | C9 | 0.5° | 0.5° |
| C12 | C13 | C8 | N1 | 180.0° | 179.7° |
| C13 | C12 | C11 | H11 | 179.7° | 180.0° |
| C8 | C13 | C12 | C11 | 0.5° | 0.2° |
| C13 | C8 | C9 | C10 | 0.4° | 0.6° |
| C13 | C8 | C9 | N1 | 179.5° | 179.7° |
| C13 | C8 | N1 | C7 | 83.6° | 149.1° |
| C8 | C13 | C12 | H12 | 179.5° | 179.7° |
| C13 | C8 | C9 | H9 | 179.6° | 179.8° |
| C13 | C8 | N1 | HN1 | 96.4° | 30.9° |
| C12 | C11 | C10 | H11 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 0.1° | 0.0° |
| C12 | C11 | C10 | H10 | 179.8° | 180.0° |
| C11 | C10 | C9 | H10 | 180.0° | 179.9° |
| C11 | C10 | C9 | C8 | 0.2° | 0.3° |
| C10 | C11 | C12 | H12 | 179.7° | 180.0° |
| C11 | C10 | C9 | H9 | 179.8° | 180.0° |
| C10 | C9 | C8 | H9 | 180.0° | 179.7° |
| C10 | C9 | C8 | N1 | 179.8° | 179.7° |
| C9 | C10 | C11 | H11 | 179.9° | 179.9° |
| C9 | C8 | N1 | C7 | 96.9° | 30.7° |
| C8 | C9 | C10 | H10 | 179.8° | 179.7° |
| C9 | C8 | N1 | HN1 | 83.1° | 149.3° |
| C8 | N1 | C7 | HN1 | 180.0° | 180.0° |
| C8 | N1 | C7 | O2 | 10.9° | 4.8° |
| C8 | N1 | C7 | C6 | 169.4° | 175.2° |
| N1 | C8 | C9 | H9 | 0.2° | 0.0° |
| N1 | C7 | O2 | C6 | 179.8° | 180.0° |
| N1 | C7 | C6 | C4 | 174.9° | 180.0° |
| N1 | C7 | C6 | C14 | 5.1° | 0.2° |
| O2 | C7 | C6 | C4 | 4.9° | 0.1° |
| O2 | C7 | C6 | C14 | 175.1° | 179.7° |
| O2 | C7 | N1 | HN1 | 169.1° | 175.2° |
| C7 | C6 | C4 | C14 | 180.0° | 179.8° |
| C7 | C6 | C4 | C3 | 179.7° | 180.0° |
| C7 | C6 | C14 | C15 | 179.6° | 180.0° |
| C6 | C7 | N1 | HN1 | 10.7° | 4.8° |
| C7 | C6 | C4 | H4 | 0.3° | 0.0° |
| C7 | C6 | C14 | H14 | 0.4° | 0.0° |
| C6 | C4 | C3 | H4 | 180.0° | 180.0° |
| C6 | C4 | C3 | C2 | 0.0° | 0.0° |
| C4 | C6 | C14 | C15 | 0.4° | 0.3° |
| C6 | C4 | C3 | H3 | 180.0° | 179.9° |
| C4 | C6 | C14 | H14 | 179.6° | 179.7° |
| C14 | C6 | C4 | C3 | 0.4° | 0.3° |
| C6 | C14 | C15 | H14 | 180.0° | 180.0° |
| C6 | C14 | C15 | C2 | 0.2° | 0.0° |
| C14 | C6 | C4 | H4 | 179.6° | 179.7° |
| C6 | C14 | C15 | H15 | 179.9° | 180.0° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | C15 | 0.3° | 0.3° |
| C4 | C3 | C2 | N5 | 179.5° | 180.0° |
| C3 | C2 | C15 | C14 | 0.2° | 0.3° |
| C3 | C2 | C15 | N5 | 179.2° | 179.7° |
| C3 | C2 | N5 | C1 | 47.2° | 145.7° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C3 | C2 | C15 | H15 | 179.8° | 179.7° |
| C3 | C2 | N5 | HN5 | 132.8° | 34.3° |
| C14 | C15 | C2 | H15 | 180.0° | 180.0° |
| C14 | C15 | C2 | N5 | 179.4° | 180.0° |
| C15 | C2 | N5 | C1 | 132.0° | 34.6° |
| C15 | C2 | C3 | H3 | 179.8° | 179.6° |
| C2 | C15 | C14 | H14 | 179.8° | 180.0° |
| C15 | C2 | N5 | HN5 | 48.0° | 145.4° |
| C2 | N5 | C1 | HN5 | 180.0° | 180.0° |
| C2 | N5 | C1 | N6 | 6.8° | 2.7° |
| C2 | N5 | C1 | C16 | 170.4° | 177.5° |
| N5 | C2 | C3 | H3 | 0.6° | 0.1° |
| N5 | C2 | C15 | H15 | 0.6° | 0.0° |
| N5 | C1 | N6 | C16 | 177.1° | 179.8° |
| N5 | C1 | N6 | C5 | 171.4° | 180.0° |
| N5 | C1 | C16 | F4 | 0.2° | 0.0° |
| N5 | C1 | C16 | C17 | 180.0° | 180.0° |
| N6 | C1 | C16 | F4 | 177.5° | 179.8° |
| N6 | C1 | C16 | C17 | 2.7° | 0.2° |
| C1 | N6 | C5 | N4 | 18.6° | 0.1° |
| C1 | N6 | C5 | N8 | 172.0° | 180.0° |
| N6 | C1 | N5 | HN5 | 173.2° | 177.3° |
| C16 | C1 | N6 | C5 | 11.5° | 0.2° |
| C1 | C16 | F4 | C17 | 179.8° | 180.0° |
| C1 | C16 | C17 | N4 | 2.4° | 0.1° |
| C16 | C1 | N5 | HN5 | 9.6° | 2.5° |
| C1 | C16 | C17 | H17 | 177.5° | 180.0° |
| N6 | C5 | N4 | C17 | 18.2° | 0.3° |
| N6 | C5 | N4 | N8 | 156.0° | 179.9° |
| N6 | C5 | N8 | C | 0.7° | 174.3° |
| N6 | C5 | N8 | HN8 | 179.3° | 5.7° |
| F4 | C16 | C17 | N4 | 177.8° | 179.9° |
| F4 | C16 | C17 | H17 | 2.3° | 0.0° |
| C16 | C17 | N4 | H17 | 180.0° | 180.0° |
| C16 | C17 | N4 | C5 | 10.9° | 0.3° |
| C17 | N4 | C5 | N8 | 174.2° | 179.7° |
| N4 | C5 | N8 | C | 152.2° | 5.7° |
| C5 | N4 | C17 | H17 | 169.0° | 179.7° |
| N4 | C5 | N8 | HN8 | 27.8° | 174.3° |
| C5 | N8 | C | HN8 | 180.0° | 180.0° |
| C5 | N8 | C | C30 | 168.7° | 145.0° |
| C5 | N8 | C | C18 | 11.7° | 35.3° |
| N8 | C | C30 | C18 | 179.7° | 179.7° |
| N8 | C | C30 | C29 | 179.8° | 180.0° |
| N8 | C | C18 | C19 | 179.8° | 179.7° |
| N8 | C | C30 | H30 | 0.2° | 0.0° |
| N8 | C | C18 | H18 | 0.2° | 0.0° |
| C | C30 | C29 | H30 | 180.0° | 180.0° |
| C | C30 | C29 | C20 | 0.1° | 0.0° |
| C30 | C | C18 | C19 | 0.5° | 0.6° |
| C30 | C | N8 | HN8 | 11.3° | 34.9° |
| C | C30 | C29 | H29 | 179.9° | 180.0° |
| C30 | C | C18 | H18 | 179.5° | 179.7° |
| C18 | C | C30 | C29 | 0.4° | 0.3° |
| C | C18 | C19 | C20 | 0.2° | 0.6° |
| C | C18 | C19 | H18 | 180.0° | 179.7° |
| C18 | C | N8 | HN8 | 168.4° | 144.8° |
| C18 | C | C30 | H30 | 179.5° | 179.7° |
| C | C18 | C19 | H19 | 179.7° | 179.7° |
| C30 | C29 | C20 | H29 | 180.0° | 180.0° |
| C30 | C29 | C20 | C19 | 0.2° | 0.1° |
| C30 | C29 | C20 | C21 | 179.3° | 180.0° |
| C29 | C20 | C19 | C21 | 179.2° | 179.9° |
| C29 | C20 | C19 | C18 | 0.1° | 0.4° |
| C29 | C20 | C21 | C22 | 84.1° | 90.0° |
| C20 | C29 | C30 | H30 | 179.8° | 180.0° |
| C29 | C20 | C19 | H19 | 179.9° | 179.9° |
| C29 | C20 | C21 | H21 | 155.9° | 149.9° |
| C29 | C20 | C21 | H21A | 35.9° | 29.9° |
| C20 | C19 | C18 | H19 | 180.0° | 179.7° |
| C19 | C20 | C21 | C22 | 95.1° | 90.1° |
| C19 | C20 | C29 | H29 | 179.9° | 180.0° |
| C20 | C19 | C18 | H18 | 179.8° | 179.7° |
| C19 | C20 | C21 | H21 | 24.9° | 30.0° |
| C19 | C20 | C21 | H21A | 145.0° | 150.0° |
| C21 | C20 | C19 | C18 | 179.3° | 179.7° |
| C20 | C21 | C22 | H21 | 120.0° | 120.1° |
| C20 | C21 | C22 | H21A | 120.0° | 120.0° |
| C20 | C21 | C22 | O1 | 53.6° | 0.0° |
| C20 | C21 | C22 | N | 126.5° | 180.0° |
| C21 | C20 | C29 | H29 | 0.7° | 0.1° |
| C21 | C20 | C19 | H19 | 0.8° | 0.0° |
| C20 | C21 | H21 | H21A | 120.0° | 120.1° |
| C21 | C22 | O1 | N | 179.8° | 179.9° |
| C21 | C22 | N | C28 | 179.6° | 180.0° |
| C21 | C22 | N | C23 | 0.7° | 0.2° |
| C22 | C21 | H21 | H21A | 120.0° | 119.9° |
| O1 | C22 | N | C28 | 0.6° | 0.0° |
| O1 | C22 | N | C23 | 179.1° | 179.7° |
| O1 | C22 | C21 | H21 | 66.4° | 120.0° |
| O1 | C22 | C21 | H21A | 173.6° | 120.1° |
| C22 | N | C28 | C23 | 179.8° | 179.8° |
| C22 | N | C28 | C27 | 113.0° | 124.8° |
| C22 | N | C23 | C24 | 119.1° | 124.8° |
| N | C22 | C21 | H21 | 113.5° | 59.9° |
| N | C22 | C21 | H21A | 6.5° | 60.0° |
| C22 | N | C28 | H28 | 7.0° | 115.5° |
| C22 | N | C28 | H28A | 125.2° | 5.0° |
| C22 | N | C23 | H23 | 120.9° | 5.0° |
| C22 | N | C23 | H23A | 1.1° | 115.4° |
| N | C28 | C27 | H28 | 120.0° | 119.7° |
| N | C28 | C27 | H28A | 121.8° | 119.7° |
| N | C28 | C27 | N2 | 67.3° | 49.5° |
| C28 | N | C23 | C24 | 61.1° | 55.0° |
| N | C28 | H28 | H28A | 122.0° | 120.4° |
| N | C28 | C27 | H27 | 52.8° | 169.2° |
| N | C28 | C27 | H27A | 171.1° | 70.3° |
| C28 | N | C23 | H23 | 58.9° | 174.7° |
| C28 | N | C23 | H23A | 178.6° | 64.8° |
| C23 | N | C28 | C27 | 67.3° | 55.0° |
| N | C23 | C24 | N2 | 53.9° | 49.3° |
| N | C23 | C24 | H23 | 120.0° | 119.8° |
| N | C23 | C24 | H23A | 120.3° | 119.8° |
| C23 | N | C28 | H28 | 172.7° | 64.8° |
| C23 | N | C28 | H28A | 54.6° | 174.8° |
| N | C23 | C24 | H24 | 66.1° | 169.1° |
| N | C23 | C24 | H24A | 174.5° | 70.5° |
| N | C23 | H23 | H23A | 120.3° | 120.4° |
| C28 | C27 | N2 | H27 | 120.0° | 119.8° |
| C28 | C27 | N2 | H27A | 121.6° | 119.8° |
| C28 | C27 | N2 | C24 | 66.6° | 55.3° |
| C28 | C27 | N2 | C25 | 113.7° | 124.8° |
| C27 | C28 | H28 | H28A | 122.0° | 120.5° |
| C28 | C27 | H27 | H27A | 121.7° | 120.5° |
| C27 | N2 | C24 | C25 | 179.7° | 180.0° |
| C27 | N2 | C24 | C23 | 59.5° | 55.1° |
| C27 | N2 | C25 | O3 | 179.8° | 5.1° |
| C27 | N2 | C25 | C26 | 0.1° | 174.8° |
| N2 | C27 | C28 | H28 | 172.7° | 70.3° |
| N2 | C27 | C28 | H28A | 54.6° | 169.2° |
| N2 | C27 | H27 | H27A | 121.7° | 120.4° |
| C27 | N2 | C24 | H24 | 60.5° | 175.0° |
| C27 | N2 | C24 | H24A | 179.9° | 64.5° |
| N2 | C24 | C23 | H24 | 120.0° | 119.8° |
| N2 | C24 | C23 | H24A | 120.6° | 119.8° |
| C24 | N2 | C25 | O3 | 0.5° | 174.8° |
| C24 | N2 | C25 | C26 | 179.6° | 5.2° |
| C24 | N2 | C27 | H27 | 53.4° | 175.0° |
| C24 | N2 | C27 | H27A | 171.8° | 64.5° |
| N2 | C24 | H24 | H24A | 120.6° | 120.5° |
| N2 | C24 | C23 | H23 | 66.1° | 169.1° |
| N2 | C24 | C23 | H23A | 174.1° | 70.6° |
| C25 | N2 | C24 | C23 | 120.8° | 124.9° |
| N2 | C25 | O3 | C26 | 179.9° | 180.0° |
| C25 | N2 | C27 | H27 | 126.3° | 5.0° |
| C25 | N2 | C27 | H27A | 7.9° | 115.4° |
| C25 | N2 | C24 | H24 | 119.2° | 5.0° |
| C25 | N2 | C24 | H24A | 0.1° | 115.4° |
| N2 | C25 | C26 | H26 | 136.0° | 84.2° |
| N2 | C25 | C26 | H26A | 16.0° | 155.8° |
| N2 | C25 | C26 | H26B | 104.0° | 35.8° |
| C23 | C24 | H24 | H24A | 120.6° | 120.3° |
| C24 | C23 | H23 | H23A | 120.3° | 120.2° |
| O3 | C25 | C26 | H26 | 44.1° | 95.8° |
| O3 | C25 | C26 | H26A | 164.1° | 24.2° |
| O3 | C25 | C26 | H26B | 75.9° | 144.2° |
| C25 | C26 | H26 | H26A | 120.0° | 120.0° |
| C25 | C26 | H26 | H26B | 120.0° | 120.0° |
| C25 | C26 | H26A | H26B | 120.0° | 120.0° |
| H12 | C12 | C11 | H11 | 0.3° | 0.1° |
| H11 | C11 | C10 | H10 | 0.1° | 0.0° |
| H10 | C10 | C9 | H9 | 0.2° | 0.1° |
| H4 | C4 | C3 | H3 | 0.0° | 0.1° |
| H14 | C14 | C15 | H15 | 0.1° | 0.0° |
| H30 | C30 | C29 | H29 | 0.2° | 0.0° |
| H19 | C19 | C18 | H18 | 0.3° | 0.0° |
| H28 | C28 | C27 | H27 | 67.3° | 49.4° |
| H28 | C28 | C27 | H27A | 51.1° | 170.0° |
| H28A | C28 | C27 | H27 | 174.6° | 71.1° |
| H28A | C28 | C27 | H27A | 67.0° | 49.4° |
| H24 | C24 | C23 | H23 | 173.9° | 71.1° |
| H24 | C24 | C23 | H23A | 54.1° | 49.2° |
| H24A | C24 | C23 | H23 | 54.5° | 49.3° |
| H24A | C24 | C23 | H23A | 65.2° | 169.7° |
| H26 | C26 | H26A | H26B | 120.0° | 120.0° |
