A1CSL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.36Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.37Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.49Å | |
| C7 | O1 | doub | 1.22Å | 1.23Å | |
| C7 | N1 | sing | 1.35Å | 1.33Å | |
| C5 | O2 | sing | 1.36Å | 1.36Å | |
| O2 | C8 | sing | 1.43Å | 1.42Å | |
| C2 | F1 | sing | 1.35Å | 1.36Å | |
| N1 | C9 | sing | 1.47Å | 1.46Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | N2 | sing | 1.40Å | 1.43Å | |
| N2 | N3 | sing | 1.40Å | 1.37Å | Aromatic |
| N3 | C16 | doub | 1.31Å | 1.33Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| N2 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| C18 | C19 | sing | 1.46Å | 1.48Å | |
| C19 | O3 | doub | 1.22Å | 1.25Å | |
| C19 | N4 | sing | 1.35Å | 1.32Å | |
| C17 | N5 | sing | 1.39Å | 1.37Å | |
| N5 | C20 | sing | 1.40Å | 1.40Å | |
| C20 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C25 | sing | 1.39Å | 1.37Å | Aromatic |
| C23 | C26 | sing | 1.51Å | 1.52Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C28 | N6 | sing | 1.47Å | 1.47Å | |
| N6 | C29 | sing | 1.47Å | 1.47Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C26 | C30 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| N4 | H15 | sing | 0.97Å | 1.00Å | |
| N4 | H16 | sing | 0.97Å | 1.00Å | |
| N5 | H17 | sing | 0.97Å | 1.00Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H19 | sing | 1.08Å | 1.08Å | |
| C24 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| N6 | H27 | sing | 1.01Å | 1.00Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 122.7° | 120.2° |
| C2 | C1 | C6 | 119.3° | 119.9° |
| C1 | C2 | F1 | 117.3° | 119.9° |
| C2 | C1 | H1 | 120.3° | 120.0° |
| C2 | C3 | C4 | 118.6° | 120.4° |
| C3 | C2 | F1 | 119.9° | 119.9° |
| C2 | C3 | H2 | 120.7° | 119.7° |
| C3 | C4 | C5 | 120.2° | 120.1° |
| C4 | C3 | H2 | 120.7° | 119.9° |
| C3 | C4 | H3 | 119.9° | 119.9° |
| C4 | C5 | C6 | 119.7° | 119.8° |
| C4 | C5 | O2 | 124.4° | 120.1° |
| C5 | C4 | H3 | 119.9° | 120.0° |
| C5 | C6 | C1 | 119.5° | 119.6° |
| C5 | C6 | C7 | 125.3° | 120.2° |
| C6 | C5 | O2 | 116.0° | 120.1° |
| C1 | C6 | C7 | 115.2° | 120.1° |
| C6 | C1 | H1 | 120.3° | 120.1° |
| C6 | C7 | O1 | 119.2° | 120.0° |
| C6 | C7 | N1 | 118.2° | 120.0° |
| O1 | C7 | N1 | 122.6° | 120.0° |
| C7 | N1 | C9 | 122.4° | 120.0° |
| C7 | N1 | H4 | 118.8° | 120.0° |
| C5 | O2 | C8 | 119.6° | 117.0° |
| O2 | C8 | H5 | 109.5° | 109.4° |
| O2 | C8 | H6 | 109.5° | 109.5° |
| O2 | C8 | H7 | 109.5° | 109.5° |
| N1 | C9 | C10 | 114.1° | 109.4° |
| C9 | N1 | H4 | 118.8° | 120.0° |
| N1 | C9 | H8 | 108.3° | 109.4° |
| N1 | C9 | H9 | 108.3° | 109.5° |
| C9 | C10 | C11 | 118.5° | 120.0° |
| C9 | C10 | C15 | 123.1° | 119.9° |
| C10 | C9 | H8 | 108.3° | 109.5° |
| C10 | C9 | H9 | 108.3° | 109.5° |
| C10 | C11 | C12 | 121.2° | 120.1° |
| C11 | C10 | C15 | 118.4° | 120.1° |
| C10 | C11 | H10 | 119.4° | 119.9° |
| C11 | C12 | C13 | 120.1° | 119.9° |
| C12 | C11 | H10 | 119.4° | 120.0° |
| C11 | C12 | H11 | 119.9° | 120.0° |
| C12 | C13 | C14 | 120.3° | 119.8° |
| C12 | C13 | N2 | 116.4° | 120.1° |
| C13 | C12 | H11 | 120.0° | 120.1° |
| C13 | C14 | C15 | 118.5° | 119.9° |
| C14 | C13 | N2 | 122.8° | 120.1° |
| C13 | C14 | H12 | 120.8° | 120.0° |
| C14 | C15 | C10 | 121.4° | 120.1° |
| C15 | C14 | H12 | 120.7° | 120.0° |
| C14 | C15 | H13 | 119.3° | 119.9° |
| C10 | C15 | H13 | 119.3° | 120.0° |
| C13 | N2 | N3 | 116.1° | 126.1° |
| C13 | N2 | C18 | 133.0° | 126.1° |
| N2 | N3 | C16 | 107.6° | 109.1° |
| N3 | N2 | C18 | 109.9° | 107.7° |
| N3 | C16 | C17 | 109.0° | 108.9° |
| N3 | C16 | H14 | 125.5° | 125.5° |
| C16 | C17 | C18 | 107.6° | 107.4° |
| C16 | C17 | N5 | 129.0° | 126.3° |
| C17 | C16 | H14 | 125.5° | 125.6° |
| C17 | C18 | N2 | 105.7° | 106.8° |
| C17 | C18 | C19 | 125.8° | 126.6° |
| C18 | C17 | N5 | 123.3° | 126.3° |
| N2 | C18 | C19 | 128.3° | 126.6° |
| C18 | C19 | O3 | 119.4° | 120.0° |
| C18 | C19 | N4 | 117.9° | 120.0° |
| O3 | C19 | N4 | 122.6° | 120.0° |
| C19 | N4 | H15 | 120.0° | 120.0° |
| C19 | N4 | H16 | 120.0° | 120.0° |
| C17 | N5 | C20 | 127.2° | 120.0° |
| C17 | N5 | H17 | 116.4° | 120.0° |
| N5 | C20 | C21 | 124.7° | 120.1° |
| N5 | C20 | C25 | 115.8° | 120.1° |
| C20 | N5 | H17 | 116.4° | 120.0° |
| C20 | C21 | C22 | 119.9° | 119.9° |
| C21 | C20 | C25 | 119.5° | 119.8° |
| C20 | C21 | H18 | 120.1° | 120.1° |
| C21 | C22 | C23 | 121.1° | 120.1° |
| C22 | C21 | H18 | 120.1° | 120.0° |
| C21 | C22 | H19 | 119.4° | 119.9° |
| C22 | C23 | C24 | 117.7° | 120.1° |
| C22 | C23 | C26 | 123.1° | 120.0° |
| C23 | C22 | H19 | 119.5° | 120.0° |
| C23 | C24 | C25 | 121.4° | 120.1° |
| C24 | C23 | C26 | 119.1° | 119.9° |
| C23 | C24 | H20 | 119.3° | 120.0° |
| C24 | C25 | C20 | 120.3° | 119.9° |
| C25 | C24 | H20 | 119.3° | 120.0° |
| C24 | C25 | H21 | 119.9° | 120.1° |
| C20 | C25 | H21 | 119.8° | 120.0° |
| C23 | C26 | C27 | 117.6° | 109.6° |
| C23 | C26 | C30 | 112.3° | 109.5° |
| C23 | C26 | H22 | 106.4° | 109.5° |
| C26 | C27 | C28 | 108.8° | 109.3° |
| C27 | C26 | C30 | 107.2° | 109.2° |
| C27 | C26 | H22 | 106.3° | 109.5° |
| C26 | C27 | H23 | 109.7° | 109.5° |
| C26 | C27 | H24 | 109.6° | 109.5° |
| C27 | C28 | N6 | 112.5° | 109.5° |
| C28 | C27 | H23 | 109.6° | 109.5° |
| C28 | C27 | H24 | 109.6° | 109.5° |
| C27 | C28 | H25 | 108.7° | 109.4° |
| C27 | C28 | H26 | 108.7° | 109.5° |
| C28 | N6 | C29 | 113.5° | 111.2° |
| N6 | C28 | H25 | 108.7° | 109.5° |
| N6 | C28 | H26 | 108.7° | 109.5° |
| C28 | N6 | H27 | 108.5° | 111.0° |
| N6 | C29 | C30 | 110.6° | 109.5° |
| C29 | N6 | H27 | 108.5° | 111.0° |
| N6 | C29 | H28 | 109.2° | 109.4° |
| N6 | C29 | H29 | 109.2° | 109.4° |
| C29 | C30 | C26 | 109.5° | 109.3° |
| C30 | C29 | H28 | 109.2° | 109.5° |
| C30 | C29 | H29 | 109.2° | 109.4° |
| C29 | C30 | H30 | 109.5° | 109.5° |
| C29 | C30 | H31 | 109.5° | 109.4° |
| C30 | C26 | H22 | 106.3° | 109.5° |
| C26 | C30 | H30 | 109.5° | 109.6° |
| C26 | C30 | H31 | 109.5° | 109.6° |
| H5 | C8 | H6 | 109.4° | 109.5° |
| H5 | C8 | H7 | 109.5° | 109.5° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H8 | C9 | H9 | 109.5° | 109.5° |
| H15 | N4 | H16 | 120.0° | 120.0° |
| H23 | C27 | H24 | 109.5° | 109.6° |
| H25 | C28 | H26 | 109.5° | 109.5° |
| H28 | C29 | H29 | 109.5° | 109.5° |
| H30 | C30 | H31 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | F1 | 177.4° | 179.9° |
| C1 | C2 | C3 | C4 | 1.1° | 0.0° |
| C2 | C1 | C6 | C5 | 1.2° | 0.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C2 | C1 | C6 | C7 | 180.0° | 179.9° |
| C1 | C2 | C3 | H2 | 178.9° | 180.0° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 1.1° | 0.0° |
| C3 | C2 | C1 | C6 | 0.1° | 0.0° |
| C3 | C2 | C1 | H1 | 179.9° | 179.7° |
| C2 | C3 | C4 | H3 | 178.8° | 180.0° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | C5 | O2 | 178.9° | 180.0° |
| C4 | C3 | C2 | F1 | 178.5° | 180.0° |
| C4 | C5 | C6 | O2 | 179.0° | 180.0° |
| C4 | C5 | C6 | C1 | 1.1° | 0.0° |
| C4 | C5 | C6 | C7 | 179.7° | 179.9° |
| C4 | C5 | O2 | C8 | 9.6° | 0.1° |
| C5 | C4 | C3 | H2 | 178.9° | 180.0° |
| C5 | C6 | C1 | C7 | 178.7° | 179.9° |
| C5 | C6 | C7 | O1 | 170.5° | 0.1° |
| C5 | C6 | C7 | N1 | 10.1° | 180.0° |
| C6 | C5 | O2 | C8 | 171.5° | 180.0° |
| C5 | C6 | C1 | H1 | 178.8° | 179.7° |
| C6 | C5 | C4 | H3 | 179.9° | 180.0° |
| C1 | C6 | C7 | O1 | 8.1° | 180.0° |
| C1 | C6 | C7 | N1 | 171.2° | 0.1° |
| C1 | C6 | C5 | O2 | 177.8° | 180.0° |
| C6 | C1 | C2 | F1 | 177.4° | 179.9° |
| C6 | C7 | O1 | N1 | 179.3° | 179.9° |
| C7 | C6 | C5 | O2 | 0.8° | 0.1° |
| C6 | C7 | N1 | C9 | 178.1° | 180.0° |
| C7 | C6 | C1 | H1 | 0.0° | 0.2° |
| C6 | C7 | N1 | H4 | 1.8° | 0.0° |
| O1 | C7 | N1 | C9 | 1.2° | 0.1° |
| O1 | C7 | N1 | H4 | 178.8° | 180.0° |
| C7 | N1 | C9 | H4 | 180.0° | 180.0° |
| C7 | N1 | C9 | C10 | 121.4° | 180.0° |
| C7 | N1 | C9 | H8 | 0.8° | 60.0° |
| C7 | N1 | C9 | H9 | 117.9° | 59.9° |
| O2 | C5 | C4 | H3 | 1.1° | 0.0° |
| C5 | O2 | C8 | H5 | 180.0° | 180.0° |
| C5 | O2 | C8 | H6 | 60.0° | 60.0° |
| C5 | O2 | C8 | H7 | 60.0° | 60.1° |
| O2 | C8 | H5 | H6 | 120.0° | 120.0° |
| O2 | C8 | H5 | H7 | 120.0° | 120.0° |
| O2 | C8 | H6 | H7 | 120.0° | 120.0° |
| F1 | C2 | C1 | H1 | 2.6° | 0.3° |
| F1 | C2 | C3 | H2 | 1.5° | 0.0° |
| N1 | C9 | C10 | H8 | 120.7° | 120.0° |
| N1 | C9 | C10 | H9 | 120.7° | 120.0° |
| N1 | C9 | C10 | C11 | 136.1° | 90.0° |
| N1 | C9 | C10 | C15 | 45.4° | 90.3° |
| N1 | C9 | H8 | H9 | 117.9° | 120.0° |
| C9 | C10 | C11 | C15 | 178.6° | 179.7° |
| C9 | C10 | C11 | C12 | 178.9° | 180.0° |
| C9 | C10 | C15 | C14 | 179.8° | 179.8° |
| C10 | C9 | N1 | H4 | 58.6° | 0.0° |
| C10 | C9 | H8 | H9 | 117.9° | 120.1° |
| C9 | C10 | C11 | H10 | 1.1° | 0.0° |
| C9 | C10 | C15 | H13 | 0.2° | 0.1° |
| C10 | C11 | C12 | H10 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 2.4° | 0.0° |
| C11 | C10 | C15 | C14 | 1.3° | 0.5° |
| C11 | C10 | C9 | H8 | 103.2° | 30.0° |
| C11 | C10 | C9 | H9 | 15.4° | 150.0° |
| C10 | C11 | C12 | H11 | 177.6° | 179.9° |
| C11 | C10 | C15 | H13 | 178.8° | 179.7° |
| C11 | C12 | C13 | H11 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 4.3° | 0.0° |
| C12 | C11 | C10 | C15 | 0.3° | 0.3° |
| C11 | C12 | C13 | N2 | 176.4° | 180.0° |
| C12 | C13 | C14 | N2 | 171.5° | 180.0° |
| C12 | C13 | C14 | C15 | 3.3° | 0.2° |
| C12 | C13 | N2 | N3 | 112.2° | 137.5° |
| C12 | C13 | N2 | C18 | 54.7° | 42.2° |
| C13 | C12 | C11 | H10 | 177.6° | 180.0° |
| C12 | C13 | C14 | H12 | 176.7° | 180.0° |
| C13 | C14 | C15 | H12 | 180.0° | 179.8° |
| C13 | C14 | C15 | C10 | 0.6° | 0.5° |
| C14 | C13 | N2 | N3 | 59.6° | 42.5° |
| C14 | C13 | N2 | C18 | 133.5° | 137.8° |
| C14 | C13 | C12 | H11 | 175.7° | 180.0° |
| C13 | C14 | C15 | H13 | 179.4° | 179.7° |
| C14 | C15 | C10 | H13 | 180.0° | 179.8° |
| C15 | C14 | C13 | N2 | 174.9° | 179.8° |
| C15 | C10 | C9 | H8 | 75.3° | 149.8° |
| C15 | C10 | C9 | H9 | 166.1° | 29.7° |
| C15 | C10 | C11 | H10 | 179.7° | 179.8° |
| C10 | C15 | C14 | H12 | 179.4° | 179.7° |
| C13 | N2 | N3 | C18 | 169.8° | 179.7° |
| C13 | N2 | N3 | C16 | 175.7° | 180.0° |
| C13 | N2 | C18 | C17 | 171.2° | 179.9° |
| C13 | N2 | C18 | C19 | 14.3° | 0.0° |
| N2 | C13 | C12 | H11 | 3.7° | 0.0° |
| N2 | C13 | C14 | H12 | 5.1° | 0.0° |
| N2 | N3 | C16 | C17 | 5.6° | 0.0° |
| N3 | N2 | C18 | C17 | 3.7° | 0.4° |
| N3 | N2 | C18 | C19 | 178.2° | 179.7° |
| N2 | N3 | C16 | H14 | 174.4° | 180.0° |
| N3 | C16 | C17 | H14 | 180.0° | 180.0° |
| N3 | C16 | C17 | C18 | 3.4° | 0.3° |
| C16 | N3 | N2 | C18 | 5.9° | 0.3° |
| N3 | C16 | C17 | N5 | 179.4° | 180.0° |
| C16 | C17 | C18 | N5 | 177.4° | 179.7° |
| C16 | C17 | C18 | N2 | 0.3° | 0.4° |
| C16 | C17 | C18 | C19 | 174.9° | 179.7° |
| C16 | C17 | N5 | C20 | 11.7° | 7.1° |
| C16 | C17 | N5 | H17 | 168.3° | 173.0° |
| C17 | C18 | N2 | C19 | 174.4° | 179.9° |
| C17 | C18 | C19 | O3 | 12.3° | 85.2° |
| C17 | C18 | C19 | N4 | 163.5° | 94.9° |
| C18 | C17 | N5 | C20 | 171.5° | 173.2° |
| C18 | C17 | C16 | H14 | 176.7° | 179.8° |
| C18 | C17 | N5 | H17 | 8.5° | 6.7° |
| N2 | C18 | C19 | O3 | 174.3° | 94.9° |
| N2 | C18 | C19 | N4 | 9.8° | 85.0° |
| N2 | C18 | C17 | N5 | 177.1° | 179.8° |
| C18 | C19 | O3 | N4 | 175.6° | 179.9° |
| C19 | C18 | C17 | N5 | 2.5° | 0.1° |
| C18 | C19 | N4 | H15 | 175.7° | 5.1° |
| C18 | C19 | N4 | H16 | 4.3° | 174.9° |
| O3 | C19 | N4 | H15 | 0.0° | 174.8° |
| O3 | C19 | N4 | H16 | 180.0° | 5.1° |
| C19 | N4 | H15 | H16 | 180.0° | 179.9° |
| C17 | N5 | C20 | H17 | 180.0° | 180.0° |
| C17 | N5 | C20 | C21 | 8.0° | 142.4° |
| C17 | N5 | C20 | C25 | 172.6° | 37.8° |
| N5 | C17 | C16 | H14 | 0.5° | 0.0° |
| N5 | C20 | C21 | C25 | 179.5° | 179.8° |
| N5 | C20 | C21 | C22 | 179.5° | 180.0° |
| N5 | C20 | C25 | C24 | 179.5° | 179.7° |
| N5 | C20 | C21 | H18 | 0.6° | 0.0° |
| N5 | C20 | C25 | H21 | 0.5° | 0.1° |
| C20 | C21 | C22 | H18 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 1.1° | 0.0° |
| C21 | C20 | C25 | C24 | 0.0° | 0.5° |
| C21 | C20 | N5 | H17 | 172.0° | 37.6° |
| C20 | C21 | C22 | H19 | 179.0° | 180.0° |
| C21 | C20 | C25 | H21 | 180.0° | 179.7° |
| C21 | C22 | C23 | H19 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 2.1° | 0.1° |
| C22 | C21 | C20 | C25 | 0.0° | 0.2° |
| C21 | C22 | C23 | C26 | 179.1° | 180.0° |
| C22 | C23 | C24 | C26 | 177.1° | 179.9° |
| C22 | C23 | C24 | C25 | 2.1° | 0.3° |
| C22 | C23 | C26 | C27 | 2.7° | 120.0° |
| C22 | C23 | C26 | C30 | 122.5° | 120.3° |
| C23 | C22 | C21 | H18 | 179.0° | 180.0° |
| C22 | C23 | C24 | H20 | 177.9° | 180.0° |
| C22 | C23 | C26 | H22 | 121.6° | 0.2° |
| C23 | C24 | C25 | H20 | 180.0° | 179.7° |
| C23 | C24 | C25 | C20 | 1.1° | 0.5° |
| C24 | C23 | C26 | C27 | 174.3° | 60.0° |
| C24 | C23 | C26 | C30 | 60.6° | 59.8° |
| C24 | C23 | C22 | H19 | 177.9° | 179.9° |
| C23 | C24 | C25 | H21 | 178.9° | 179.6° |
| C24 | C23 | C26 | H22 | 55.3° | 179.9° |
| C24 | C25 | C20 | H21 | 180.0° | 179.8° |
| C25 | C24 | C23 | C26 | 179.2° | 179.8° |
| C25 | C20 | N5 | H17 | 7.4° | 142.2° |
| C25 | C20 | C21 | H18 | 180.0° | 179.8° |
| C20 | C25 | C24 | H20 | 178.9° | 179.8° |
| C23 | C26 | C27 | C30 | 127.7° | 119.9° |
| C23 | C26 | C27 | H22 | 119.0° | 120.1° |
| C23 | C26 | C27 | C28 | 170.9° | 177.6° |
| C23 | C26 | C30 | C29 | 165.9° | 177.6° |
| C23 | C26 | C30 | H22 | 115.9° | 120.1° |
| C26 | C23 | C22 | H19 | 1.0° | 0.0° |
| C26 | C23 | C24 | H20 | 0.8° | 0.1° |
| C23 | C26 | C27 | H23 | 69.2° | 57.7° |
| C23 | C26 | C27 | H24 | 51.0° | 62.5° |
| C23 | C26 | C30 | H30 | 74.1° | 62.5° |
| C23 | C26 | C30 | H31 | 45.9° | 57.7° |
| C26 | C27 | C28 | H23 | 119.9° | 119.9° |
| C26 | C27 | C28 | H24 | 119.9° | 119.9° |
| C26 | C27 | C28 | N6 | 56.4° | 59.2° |
| C27 | C26 | C30 | C29 | 63.4° | 57.6° |
| C27 | C26 | C30 | H22 | 113.4° | 119.9° |
| C26 | C27 | H23 | H24 | 120.3° | 120.1° |
| C26 | C27 | C28 | H25 | 176.8° | 179.2° |
| C26 | C27 | C28 | H26 | 64.0° | 60.8° |
| C27 | C26 | C30 | H30 | 56.6° | 177.6° |
| C27 | C26 | C30 | H31 | 176.6° | 62.3° |
| C27 | C28 | N6 | H25 | 120.4° | 120.0° |
| C27 | C28 | N6 | H26 | 120.4° | 120.0° |
| C27 | C28 | N6 | C29 | 52.2° | 61.8° |
| C28 | C27 | C26 | C30 | 61.4° | 57.6° |
| C28 | C27 | C26 | H22 | 51.9° | 62.3° |
| C28 | C27 | H23 | H24 | 120.3° | 120.1° |
| C27 | C28 | H25 | H26 | 118.6° | 120.0° |
| C27 | C28 | N6 | H27 | 68.4° | 62.4° |
| C28 | N6 | C29 | H27 | 120.6° | 124.1° |
| C28 | N6 | C29 | C30 | 52.7° | 61.7° |
| N6 | C28 | C27 | H23 | 63.5° | 60.7° |
| N6 | C28 | C27 | H24 | 176.3° | 179.1° |
| N6 | C28 | H25 | H26 | 118.6° | 120.0° |
| C28 | N6 | C29 | H28 | 172.8° | 178.2° |
| C28 | N6 | C29 | H29 | 67.5° | 58.2° |
| N6 | C29 | C30 | H28 | 120.2° | 120.0° |
| N6 | C29 | C30 | H29 | 120.2° | 120.0° |
| N6 | C29 | C30 | C26 | 58.6° | 59.1° |
| C29 | N6 | C28 | H25 | 172.7° | 178.3° |
| C29 | N6 | C28 | H26 | 68.2° | 58.3° |
| N6 | C29 | H28 | H29 | 119.5° | 120.0° |
| N6 | C29 | C30 | H30 | 61.4° | 179.1° |
| N6 | C29 | C30 | H31 | 178.7° | 60.9° |
| C29 | C30 | C26 | H30 | 120.0° | 119.9° |
| C29 | C30 | C26 | H31 | 120.0° | 119.9° |
| C29 | C30 | C26 | H22 | 50.0° | 62.3° |
| C30 | C29 | N6 | H27 | 67.9° | 62.4° |
| C30 | C29 | H28 | H29 | 119.5° | 120.0° |
| C29 | C30 | H30 | H31 | 120.0° | 120.0° |
| C30 | C26 | C27 | H23 | 58.5° | 62.3° |
| C30 | C26 | C27 | H24 | 178.7° | 177.6° |
| C26 | C30 | C29 | H28 | 178.8° | 179.2° |
| C26 | C30 | C29 | H29 | 61.5° | 60.8° |
| C26 | C30 | H30 | H31 | 120.0° | 120.2° |
| H2 | C3 | C4 | H3 | 1.2° | 0.0° |
| H4 | N1 | C9 | H8 | 179.3° | 120.0° |
| H4 | N1 | C9 | H9 | 62.1° | 120.1° |
| H5 | C8 | H6 | H7 | 120.0° | 120.1° |
| H10 | C11 | C12 | H11 | 2.4° | 0.0° |
| H12 | C14 | C15 | H13 | 0.6° | 0.1° |
| H18 | C21 | C22 | H19 | 1.0° | 0.0° |
| H20 | C24 | C25 | H21 | 1.1° | 0.0° |
| H22 | C26 | C27 | H23 | 171.8° | 177.8° |
| H22 | C26 | C27 | H24 | 68.0° | 57.6° |
| H22 | C26 | C30 | H30 | 170.0° | 57.6° |
| H22 | C26 | C30 | H31 | 70.0° | 177.8° |
| H23 | C27 | C28 | H25 | 56.9° | 59.3° |
| H23 | C27 | C28 | H26 | 176.0° | 179.2° |
| H24 | C27 | C28 | H25 | 63.3° | 60.9° |
| H24 | C27 | C28 | H26 | 55.9° | 59.1° |
| H25 | C28 | N6 | H27 | 52.1° | 57.6° |
| H26 | C28 | N6 | H27 | 171.2° | 177.6° |
| H27 | N6 | C29 | H28 | 52.2° | 57.6° |
| H27 | N6 | C29 | H29 | 171.9° | 177.6° |
| H28 | C29 | C30 | H30 | 58.8° | 60.8° |
| H28 | C29 | C30 | H31 | 61.2° | 59.2° |
| H29 | C29 | C30 | H30 | 178.5° | 59.2° |
| H29 | C29 | C30 | H31 | 58.5° | 179.2° |
