A1EJN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C4 | doub | 1.35Å | 1.35Å | Aromatic |
| C3 | N2 | sing | 1.37Å | 1.38Å | Aromatic |
| C4 | N5 | sing | 1.34Å | 1.38Å | Aromatic |
| N2 | C1 | sing | 1.47Å | 1.46Å | |
| N2 | C25 | sing | 1.35Å | 1.34Å | Aromatic |
| N5 | C6 | sing | 1.47Å | 1.47Å | |
| N5 | C25 | doub | 1.31Å | 1.33Å | Aromatic |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C25 | C26 | sing | 1.51Å | 1.48Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.50Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | sing | 1.51Å | 1.49Å | |
| O24 | C23 | doub | 1.21Å | 1.20Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C1 | H25 | sing | 1.09Å | 1.10Å | |
| C1 | H26 | sing | 1.09Å | 1.10Å | |
| C1 | H27 | sing | 1.09Å | 1.10Å | |
| C11 | H28 | sing | 1.09Å | 1.10Å | |
| C11 | H29 | sing | 1.09Å | 1.10Å | |
| C12 | H30 | sing | 1.09Å | 1.10Å | |
| C12 | H31 | sing | 1.09Å | 1.10Å | |
| C14 | H32 | sing | 1.09Å | 1.10Å | |
| C14 | H33 | sing | 1.09Å | 1.10Å | |
| C16 | H34 | sing | 1.09Å | 1.10Å | |
| C16 | H35 | sing | 1.09Å | 1.10Å | |
| C18 | H36 | sing | 1.09Å | 1.10Å | |
| C18 | H37 | sing | 1.09Å | 1.10Å | |
| C19 | H38 | sing | 1.09Å | 1.10Å | |
| C19 | H39 | sing | 1.09Å | 1.10Å | |
| C3 | H41 | sing | 1.08Å | 1.08Å | |
| C9 | H42 | sing | 1.09Å | 1.10Å | |
| C9 | H43 | sing | 1.09Å | 1.10Å | |
| C23 | O1 | sing | 1.34Å | 62.53Å | |
| O1 | N1 | sing | 1.22Å | 0.00Å | |
| N1 | C2 | sing | 1.34Å | 0.00Å | |
| N1 | C5 | sing | 1.34Å | 0.00Å | |
| C5 | C24 | sing | 1.51Å | 0.00Å | |
| C2 | O3 | doub | 1.21Å | 0.00Å | |
| C5 | O2 | doub | 1.21Å | 0.00Å | |
| C24 | C30 | sing | 1.54Å | 0.00Å | |
| C24 | H40 | sing | 1.09Å | 0.00Å | |
| C24 | H44 | sing | 1.09Å | 0.00Å | |
| C30 | H47 | sing | 1.09Å | 0.00Å | |
| C30 | H48 | sing | 1.09Å | 0.00Å | |
| C2 | C30 | sing | 1.51Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | N2 | 107.0° | 106.8° |
| C3 | C4 | N5 | 107.0° | 108.0° |
| C3 | C4 | H1 | 126.5° | 126.0° |
| C4 | C3 | H41 | 126.5° | 126.6° |
| C3 | N2 | C1 | 124.9° | 126.4° |
| C3 | N2 | C25 | 109.3° | 107.2° |
| N2 | C3 | H41 | 126.5° | 126.6° |
| C4 | N5 | C6 | 124.7° | 125.4° |
| C4 | N5 | C25 | 109.2° | 109.2° |
| N5 | C4 | H1 | 126.5° | 126.0° |
| C1 | N2 | C25 | 125.7° | 126.4° |
| N2 | C1 | H25 | 109.5° | 109.5° |
| N2 | C1 | H26 | 109.5° | 109.4° |
| N2 | C1 | H27 | 109.5° | 109.5° |
| N2 | C25 | N5 | 107.6° | 108.7° |
| N2 | C25 | C26 | 125.8° | 125.6° |
| C6 | N5 | C25 | 126.1° | 125.4° |
| N5 | C6 | C7 | 111.6° | 109.5° |
| N5 | C6 | H2 | 108.9° | 109.5° |
| N5 | C6 | H3 | 108.9° | 109.4° |
| N5 | C25 | C26 | 126.6° | 125.6° |
| C6 | C7 | C8 | 112.2° | 109.4° |
| C7 | C6 | H2 | 109.0° | 109.5° |
| C7 | C6 | H3 | 108.9° | 109.5° |
| C6 | C7 | H4 | 108.8° | 109.5° |
| C6 | C7 | H5 | 108.8° | 109.5° |
| C25 | C26 | H22 | 109.5° | 109.5° |
| C25 | C26 | H23 | 109.5° | 109.5° |
| C25 | C26 | H24 | 109.5° | 109.5° |
| C10 | C9 | C8 | 110.8° | 109.5° |
| C9 | C10 | C11 | 114.9° | 109.5° |
| C9 | C10 | H8 | 108.1° | 109.4° |
| C9 | C10 | H9 | 108.1° | 109.5° |
| C10 | C9 | H42 | 109.1° | 109.5° |
| C10 | C9 | H43 | 109.2° | 109.4° |
| C9 | C8 | C7 | 113.8° | 109.5° |
| C9 | C8 | H6 | 108.4° | 109.5° |
| C9 | C8 | H7 | 108.4° | 109.5° |
| C8 | C9 | H42 | 109.1° | 109.5° |
| C8 | C9 | H43 | 109.1° | 109.5° |
| C8 | C7 | H4 | 108.8° | 109.5° |
| C8 | C7 | H5 | 108.8° | 109.4° |
| C7 | C8 | H6 | 108.4° | 109.5° |
| C7 | C8 | H7 | 108.4° | 109.4° |
| C10 | C11 | C12 | 111.0° | 109.5° |
| C11 | C10 | H8 | 108.1° | 109.5° |
| C11 | C10 | H9 | 108.1° | 109.5° |
| C10 | C11 | H28 | 109.1° | 109.5° |
| C10 | C11 | H29 | 109.1° | 109.5° |
| C11 | C12 | C13 | 114.9° | 109.5° |
| C12 | C11 | H28 | 109.1° | 109.5° |
| C12 | C11 | H29 | 109.1° | 109.4° |
| C11 | C12 | H30 | 108.1° | 109.4° |
| C11 | C12 | H31 | 108.1° | 109.5° |
| C12 | C13 | C14 | 110.9° | 109.5° |
| C12 | C13 | H10 | 109.1° | 109.5° |
| C12 | C13 | H11 | 109.1° | 109.5° |
| C13 | C12 | H30 | 108.1° | 109.5° |
| C13 | C12 | H31 | 108.1° | 109.5° |
| C13 | C14 | C15 | 114.0° | 109.5° |
| C14 | C13 | H10 | 109.1° | 109.5° |
| C14 | C13 | H11 | 109.1° | 109.5° |
| C13 | C14 | H32 | 108.3° | 109.5° |
| C13 | C14 | H33 | 108.3° | 109.5° |
| C14 | C15 | C16 | 115.3° | 109.5° |
| C14 | C15 | H12 | 108.0° | 109.5° |
| C14 | C15 | H13 | 108.0° | 109.5° |
| C15 | C14 | H32 | 108.3° | 109.4° |
| C15 | C14 | H33 | 108.3° | 109.5° |
| C15 | C16 | C17 | 115.3° | 109.5° |
| C16 | C15 | H12 | 108.0° | 109.4° |
| C16 | C15 | H13 | 108.0° | 109.5° |
| C15 | C16 | H34 | 108.0° | 109.4° |
| C15 | C16 | H35 | 108.0° | 109.5° |
| C16 | C17 | C18 | 110.3° | 109.4° |
| C16 | C17 | H14 | 109.2° | 109.5° |
| C16 | C17 | H15 | 109.2° | 109.5° |
| C17 | C16 | H34 | 108.0° | 109.4° |
| C17 | C16 | H35 | 108.0° | 109.5° |
| C17 | C18 | C19 | 117.2° | 109.5° |
| C18 | C17 | H14 | 109.3° | 109.4° |
| C18 | C17 | H15 | 109.2° | 109.4° |
| C17 | C18 | H36 | 107.5° | 109.5° |
| C17 | C18 | H37 | 107.5° | 109.5° |
| C18 | C19 | C20 | 113.5° | 109.5° |
| C19 | C18 | H36 | 107.5° | 109.5° |
| C19 | C18 | H37 | 107.5° | 109.5° |
| C18 | C19 | H38 | 108.4° | 109.4° |
| C18 | C19 | H39 | 108.4° | 109.5° |
| C19 | C20 | C21 | 115.8° | 109.5° |
| C19 | C20 | H16 | 107.9° | 109.5° |
| C19 | C20 | H17 | 107.9° | 109.5° |
| C20 | C19 | H38 | 108.4° | 109.5° |
| C20 | C19 | H39 | 108.5° | 109.5° |
| C20 | C21 | C22 | 113.0° | 109.5° |
| C21 | C20 | H16 | 107.9° | 109.4° |
| C21 | C20 | H17 | 107.9° | 109.5° |
| C20 | C21 | H18 | 108.6° | 109.5° |
| C20 | C21 | H19 | 108.6° | 109.4° |
| C21 | C22 | C23 | 112.4° | 109.5° |
| C22 | C21 | H18 | 108.6° | 109.5° |
| C22 | C21 | H19 | 108.6° | 109.5° |
| C21 | C22 | H20 | 108.7° | 109.5° |
| C21 | C22 | H21 | 108.7° | 109.5° |
| C22 | C23 | O24 | 121.1° | 120.0° |
| C23 | C22 | H20 | 108.7° | 109.5° |
| C23 | C22 | H21 | 108.7° | 109.4° |
| C22 | C23 | O1 | 32.2° | 120.0° |
| O24 | C23 | O1 | 100.7° | 120.0° |
| H2 | C6 | H3 | 109.5° | 109.5° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.4° | 109.5° |
| H10 | C13 | H11 | 109.5° | 109.4° |
| H12 | C15 | H13 | 109.5° | 109.4° |
| H14 | C17 | H15 | 109.5° | 109.5° |
| H16 | C20 | H17 | 109.4° | 109.5° |
| H18 | C21 | H19 | 109.5° | 109.5° |
| H20 | C22 | H21 | 109.5° | 109.5° |
| H22 | C26 | H23 | 109.4° | 109.5° |
| H22 | C26 | H24 | 109.5° | 109.4° |
| H23 | C26 | H24 | 109.5° | 109.5° |
| H25 | C1 | H26 | 109.4° | 109.5° |
| H25 | C1 | H27 | 109.5° | 109.5° |
| H26 | C1 | H27 | 109.5° | 109.5° |
| H28 | C11 | H29 | 109.5° | 109.5° |
| H30 | C12 | H31 | 109.4° | 109.5° |
| H32 | C14 | H33 | 109.5° | 109.4° |
| H34 | C16 | H35 | 109.5° | 109.5° |
| H36 | C18 | H37 | 109.5° | 109.5° |
| H38 | C19 | H39 | 109.5° | 109.5° |
| H42 | C9 | H43 | 109.5° | 109.5° |
| C23 | O1 | N1 | 90.0° | 117.0° |
| O1 | N1 | C2 | 90.0° | 122.8° |
| O1 | N1 | C5 | 90.0° | 122.7° |
| C2 | N1 | C5 | 90.0° | 114.5° |
| N1 | C2 | O3 | 90.0° | 125.4° |
| N1 | C2 | C30 | 90.0° | 109.2° |
| N1 | C5 | C24 | 90.0° | 109.2° |
| N1 | C5 | O2 | 90.0° | 125.5° |
| C24 | C5 | O2 | 90.0° | 125.4° |
| C5 | C24 | C30 | 90.0° | 103.5° |
| C5 | C24 | H40 | 90.0° | 110.6° |
| C5 | C24 | H44 | 90.0° | 110.6° |
| O3 | C2 | C30 | 90.0° | 125.3° |
| C30 | C24 | H40 | 90.0° | 110.5° |
| C30 | C24 | H44 | 90.0° | 110.8° |
| C24 | C30 | H47 | 90.0° | 110.7° |
| C24 | C30 | H48 | 90.0° | 110.5° |
| C24 | C30 | C2 | 90.0° | 103.5° |
| H40 | C24 | H44 | 90.0° | 110.7° |
| H47 | C30 | H48 | 90.0° | 110.7° |
| H47 | C30 | C2 | 90.0° | 110.6° |
| H48 | C30 | C2 | 90.0° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | N2 | H41 | 180.0° | 180.0° |
| C3 | C4 | N5 | H1 | 180.0° | 179.7° |
| C4 | C3 | N2 | C1 | 178.3° | 180.0° |
| C4 | C3 | N2 | C25 | 0.1° | 0.1° |
| C3 | C4 | N5 | C6 | 177.4° | 179.8° |
| C3 | C4 | N5 | C25 | 0.1° | 0.0° |
| N2 | C3 | C4 | N5 | 0.1° | 0.0° |
| C3 | N2 | C1 | C25 | 177.9° | 179.9° |
| C3 | N2 | C25 | N5 | 0.0° | 0.1° |
| C3 | N2 | C25 | C26 | 178.9° | 180.0° |
| N2 | C3 | C4 | H1 | 179.9° | 179.7° |
| C3 | N2 | C1 | H25 | 180.0° | 89.9° |
| C3 | N2 | C1 | H26 | 60.0° | 150.1° |
| C3 | N2 | C1 | H27 | 60.0° | 30.1° |
| C4 | N5 | C25 | N2 | 0.1° | 0.0° |
| C4 | N5 | C6 | C25 | 177.2° | 179.7° |
| C4 | N5 | C6 | C7 | 96.6° | 95.0° |
| C4 | N5 | C25 | C26 | 178.8° | 179.9° |
| C4 | N5 | C6 | H2 | 143.1° | 144.9° |
| C4 | N5 | C6 | H3 | 23.7° | 24.9° |
| N5 | C4 | C3 | H41 | 179.9° | 180.0° |
| C1 | N2 | C25 | N5 | 178.2° | 180.0° |
| C1 | N2 | C25 | C26 | 2.9° | 0.1° |
| N2 | C1 | H25 | H26 | 120.0° | 120.0° |
| N2 | C1 | H25 | H27 | 120.0° | 120.0° |
| N2 | C1 | H26 | H27 | 120.0° | 120.0° |
| C1 | N2 | C3 | H41 | 1.8° | 0.1° |
| N2 | C25 | N5 | C6 | 177.4° | 179.8° |
| N2 | C25 | N5 | C26 | 178.9° | 179.9° |
| N2 | C25 | C26 | H22 | 89.4° | 90.1° |
| N2 | C25 | C26 | H23 | 150.6° | 149.9° |
| N2 | C25 | C26 | H24 | 30.6° | 29.9° |
| C25 | N2 | C1 | H25 | 2.1° | 89.9° |
| C25 | N2 | C1 | H26 | 117.9° | 30.1° |
| C25 | N2 | C1 | H27 | 122.1° | 150.1° |
| C25 | N2 | C3 | H41 | 180.0° | 180.0° |
| N5 | C6 | C7 | H2 | 120.3° | 120.0° |
| N5 | C6 | C7 | H3 | 120.3° | 119.9° |
| C6 | N5 | C25 | C26 | 3.7° | 0.3° |
| N5 | C6 | C7 | C8 | 152.6° | 180.0° |
| C6 | N5 | C4 | H1 | 2.6° | 0.1° |
| N5 | C6 | H2 | H3 | 119.0° | 119.9° |
| N5 | C6 | C7 | H4 | 86.9° | 60.0° |
| N5 | C6 | C7 | H5 | 32.3° | 60.0° |
| C25 | N5 | C6 | C7 | 80.6° | 84.7° |
| C25 | N5 | C4 | H1 | 179.9° | 179.7° |
| C25 | N5 | C6 | H2 | 39.8° | 35.3° |
| C25 | N5 | C6 | H3 | 159.1° | 155.3° |
| N5 | C25 | C26 | H22 | 89.3° | 90.1° |
| N5 | C25 | C26 | H23 | 30.6° | 30.0° |
| N5 | C25 | C26 | H24 | 150.6° | 150.0° |
| C6 | C7 | C8 | C9 | 28.2° | 180.0° |
| C6 | C7 | C8 | H4 | 120.4° | 120.0° |
| C6 | C7 | C8 | H5 | 120.4° | 120.0° |
| C7 | C6 | H2 | H3 | 119.0° | 120.1° |
| C6 | C7 | H4 | H5 | 118.8° | 120.0° |
| C6 | C7 | C8 | H6 | 92.4° | 60.0° |
| C6 | C7 | C8 | H7 | 148.9° | 60.0° |
| C25 | C26 | H22 | H23 | 120.0° | 120.0° |
| C25 | C26 | H22 | H24 | 120.0° | 120.0° |
| C25 | C26 | H23 | H24 | 120.0° | 120.0° |
| C10 | C9 | C8 | H42 | 120.2° | 120.0° |
| C10 | C9 | C8 | H43 | 120.2° | 120.0° |
| C10 | C9 | C8 | C7 | 167.6° | 180.0° |
| C9 | C10 | C11 | H8 | 120.8° | 120.0° |
| C9 | C10 | C11 | H9 | 120.8° | 120.0° |
| C9 | C10 | C11 | C12 | 169.3° | 180.0° |
| C10 | C9 | C8 | H6 | 71.8° | 60.0° |
| C10 | C9 | C8 | H7 | 46.9° | 60.0° |
| C9 | C10 | H8 | H9 | 117.5° | 120.0° |
| C9 | C10 | C11 | H28 | 70.4° | 60.0° |
| C9 | C10 | C11 | H29 | 49.1° | 60.0° |
| C10 | C9 | H42 | H43 | 119.4° | 120.0° |
| C9 | C8 | C7 | H6 | 120.6° | 120.0° |
| C9 | C8 | C7 | H7 | 120.6° | 120.0° |
| C8 | C9 | C10 | C11 | 27.0° | 180.0° |
| C9 | C8 | C7 | H4 | 92.2° | 60.0° |
| C9 | C8 | C7 | H5 | 148.6° | 60.0° |
| C9 | C8 | H6 | H7 | 118.0° | 120.0° |
| C8 | C9 | C10 | H8 | 147.8° | 60.0° |
| C8 | C9 | C10 | H9 | 93.8° | 60.0° |
| C8 | C9 | H42 | H43 | 119.4° | 120.0° |
| C8 | C7 | C6 | H2 | 32.3° | 60.0° |
| C8 | C7 | C6 | H3 | 87.0° | 60.1° |
| C8 | C7 | H4 | H5 | 118.7° | 120.0° |
| C7 | C8 | H6 | H7 | 118.0° | 120.0° |
| C7 | C8 | C9 | H42 | 47.4° | 60.0° |
| C7 | C8 | C9 | H43 | 72.2° | 60.0° |
| C10 | C11 | C12 | H28 | 120.2° | 120.0° |
| C10 | C11 | C12 | H29 | 120.2° | 120.0° |
| C10 | C11 | C12 | C13 | 178.1° | 180.0° |
| C11 | C10 | H8 | H9 | 117.5° | 120.0° |
| C10 | C11 | H28 | H29 | 119.3° | 120.0° |
| C10 | C11 | C12 | H30 | 61.1° | 60.0° |
| C10 | C11 | C12 | H31 | 57.3° | 60.0° |
| C11 | C10 | C9 | H42 | 147.2° | 60.0° |
| C11 | C10 | C9 | H43 | 93.2° | 60.0° |
| C11 | C12 | C13 | H30 | 120.8° | 120.0° |
| C11 | C12 | C13 | H31 | 120.8° | 120.0° |
| C11 | C12 | C13 | C14 | 124.4° | 180.0° |
| C12 | C11 | C10 | H8 | 48.5° | 60.0° |
| C12 | C11 | C10 | H9 | 69.9° | 60.0° |
| C11 | C12 | C13 | H10 | 4.2° | 60.0° |
| C11 | C12 | C13 | H11 | 115.3° | 60.0° |
| C12 | C11 | H28 | H29 | 119.3° | 120.0° |
| C11 | C12 | H30 | H31 | 117.5° | 120.0° |
| C12 | C13 | C14 | H10 | 120.2° | 120.0° |
| C12 | C13 | C14 | H11 | 120.2° | 120.0° |
| C12 | C13 | C14 | C15 | 142.3° | 180.0° |
| C12 | C13 | H10 | H11 | 119.3° | 120.0° |
| C13 | C12 | C11 | H28 | 57.8° | 60.0° |
| C13 | C12 | C11 | H29 | 61.7° | 60.0° |
| C13 | C12 | H30 | H31 | 117.5° | 120.0° |
| C12 | C13 | C14 | H32 | 21.6° | 60.0° |
| C12 | C13 | C14 | H33 | 97.1° | 60.0° |
| C13 | C14 | C15 | H32 | 120.7° | 120.0° |
| C13 | C14 | C15 | H33 | 120.7° | 120.1° |
| C13 | C14 | C15 | C16 | 82.8° | 180.0° |
| C14 | C13 | H10 | H11 | 119.3° | 120.0° |
| C13 | C14 | C15 | H12 | 38.0° | 60.0° |
| C13 | C14 | C15 | H13 | 156.3° | 59.9° |
| C14 | C13 | C12 | H30 | 114.8° | 60.0° |
| C14 | C13 | C12 | H31 | 3.6° | 60.0° |
| C13 | C14 | H32 | H33 | 117.9° | 120.0° |
| C14 | C15 | C16 | H12 | 120.8° | 120.0° |
| C14 | C15 | C16 | H13 | 120.9° | 120.1° |
| C14 | C15 | C16 | C17 | 70.6° | 180.0° |
| C15 | C14 | C13 | H10 | 97.5° | 60.0° |
| C15 | C14 | C13 | H11 | 22.0° | 59.9° |
| C14 | C15 | H12 | H13 | 117.4° | 120.0° |
| C15 | C14 | H32 | H33 | 117.9° | 120.0° |
| C14 | C15 | C16 | H34 | 50.2° | 60.1° |
| C14 | C15 | C16 | H35 | 168.6° | 59.9° |
| C15 | C16 | C17 | H34 | 120.8° | 119.9° |
| C15 | C16 | C17 | H35 | 120.8° | 120.0° |
| C15 | C16 | C17 | C18 | 168.6° | 180.0° |
| C16 | C15 | H12 | H13 | 117.4° | 120.0° |
| C15 | C16 | C17 | H14 | 48.4° | 60.1° |
| C15 | C16 | C17 | H15 | 71.3° | 60.0° |
| C16 | C15 | C14 | H32 | 156.5° | 60.0° |
| C16 | C15 | C14 | H33 | 37.8° | 59.9° |
| C15 | C16 | H34 | H35 | 117.4° | 120.0° |
| C16 | C17 | C18 | H14 | 120.1° | 120.0° |
| C16 | C17 | C18 | H15 | 120.1° | 120.0° |
| C16 | C17 | C18 | C19 | 179.1° | 180.0° |
| C17 | C16 | C15 | H12 | 168.5° | 60.0° |
| C17 | C16 | C15 | H13 | 50.2° | 59.9° |
| C16 | C17 | H14 | H15 | 119.6° | 120.1° |
| C17 | C16 | H34 | H35 | 117.4° | 120.0° |
| C16 | C17 | C18 | H36 | 58.0° | 60.0° |
| C16 | C17 | C18 | H37 | 59.8° | 60.0° |
| C17 | C18 | C19 | H36 | 121.1° | 120.0° |
| C17 | C18 | C19 | H37 | 121.1° | 120.0° |
| C17 | C18 | C19 | C20 | 111.2° | 180.0° |
| C18 | C17 | H14 | H15 | 119.6° | 120.0° |
| C18 | C17 | C16 | H34 | 70.6° | 60.0° |
| C18 | C17 | C16 | H35 | 47.7° | 60.0° |
| C17 | C18 | H36 | H37 | 116.5° | 120.0° |
| C17 | C18 | C19 | H38 | 128.3° | 60.0° |
| C17 | C18 | C19 | H39 | 9.4° | 60.0° |
| C18 | C19 | C20 | H38 | 120.6° | 119.9° |
| C18 | C19 | C20 | H39 | 120.6° | 120.0° |
| C18 | C19 | C20 | C21 | 121.9° | NaN° |
| C19 | C18 | C17 | H14 | 60.8° | 60.0° |
| C19 | C18 | C17 | H15 | 59.0° | 60.0° |
| C18 | C19 | C20 | H16 | 117.1° | 60.0° |
| C18 | C19 | C20 | H17 | 1.0° | 60.0° |
| C19 | C18 | H36 | H37 | 116.5° | 120.0° |
| C18 | C19 | H38 | H39 | 118.2° | 120.0° |
| C19 | C20 | C21 | H16 | 120.9° | 120.0° |
| C19 | C20 | C21 | H17 | 120.9° | 120.0° |
| C19 | C20 | C21 | C22 | 8.8° | NaN° |
| C19 | C20 | H16 | H17 | 117.1° | 120.1° |
| C19 | C20 | C21 | H18 | 129.3° | 60.0° |
| C19 | C20 | C21 | H19 | 111.7° | 60.0° |
| C20 | C19 | C18 | H36 | 9.9° | 60.0° |
| C20 | C19 | C18 | H37 | 127.8° | 60.0° |
| C20 | C19 | H38 | H39 | 118.2° | 120.1° |
| C20 | C21 | C22 | H18 | 120.5° | 120.0° |
| C20 | C21 | C22 | H19 | 120.5° | 119.9° |
| C20 | C21 | C22 | C23 | 154.7° | 180.0° |
| C21 | C20 | H16 | H17 | 117.1° | 119.9° |
| C20 | C21 | H18 | H19 | 118.4° | 119.9° |
| C20 | C21 | C22 | H20 | 84.9° | 60.0° |
| C20 | C21 | C22 | H21 | 34.2° | 60.1° |
| C21 | C20 | C19 | H38 | 1.4° | 60.1° |
| C21 | C20 | C19 | H39 | 117.5° | 60.0° |
| C21 | C22 | C23 | H20 | 120.4° | 120.0° |
| C21 | C22 | C23 | H21 | 120.4° | 120.0° |
| C21 | C22 | C23 | O24 | 28.1° | 0.0° |
| C22 | C21 | C20 | H16 | 112.1° | 60.0° |
| C22 | C21 | C20 | H17 | 129.7° | 60.0° |
| C22 | C21 | H18 | H19 | 118.4° | 120.1° |
| C21 | C22 | H20 | H21 | 118.6° | 120.1° |
| C21 | C22 | C23 | O1 | 28.6° | 180.0° |
| C22 | C23 | O24 | O1 | 27.0° | 180.0° |
| C23 | C22 | C21 | H18 | 34.1° | 60.0° |
| C23 | C22 | C21 | H19 | 84.8° | 60.1° |
| C23 | C22 | H20 | H21 | 118.7° | 119.9° |
| C22 | C23 | O1 | N1 | 90.0° | 180.0° |
| O24 | C23 | C22 | H20 | 148.5° | 120.0° |
| O24 | C23 | C22 | H21 | 92.4° | 120.0° |
| O24 | C23 | O1 | N1 | 90.0° | 0.0° |
| H1 | C4 | C3 | H41 | 0.1° | 0.3° |
| H2 | C6 | C7 | H4 | 152.7° | 60.0° |
| H2 | C6 | C7 | H5 | 88.1° | 180.0° |
| H3 | C6 | C7 | H4 | 33.4° | 179.9° |
| H3 | C6 | C7 | H5 | 152.6° | 59.9° |
| H4 | C7 | C8 | H6 | 147.2° | 180.0° |
| H4 | C7 | C8 | H7 | 28.4° | 60.0° |
| H5 | C7 | C8 | H6 | 28.0° | 60.0° |
| H5 | C7 | C8 | H7 | 90.7° | NaN° |
| H6 | C8 | C9 | H42 | 168.0° | 180.0° |
| H6 | C8 | C9 | H43 | 48.4° | 60.0° |
| H7 | C8 | C9 | H42 | 73.2° | 60.0° |
| H7 | C8 | C9 | H43 | 167.2° | 180.0° |
| H8 | C10 | C11 | H28 | 168.8° | 60.0° |
| H8 | C10 | C11 | H29 | 71.7° | NaN° |
| H8 | C10 | C9 | H42 | 92.0° | 60.0° |
| H8 | C10 | C9 | H43 | 27.6° | NaN° |
| H9 | C10 | C11 | H28 | 50.4° | 180.0° |
| H9 | C10 | C11 | H29 | 169.9° | 60.0° |
| H9 | C10 | C9 | H42 | 26.4° | 180.0° |
| H9 | C10 | C9 | H43 | 146.0° | 60.0° |
| H10 | C13 | C12 | H30 | 125.0° | 60.0° |
| H10 | C13 | C12 | H31 | 116.6° | 180.0° |
| H10 | C13 | C14 | H32 | 141.8° | NaN° |
| H10 | C13 | C14 | H33 | 23.1° | 60.0° |
| H11 | C13 | C12 | H30 | 5.5° | 180.0° |
| H11 | C13 | C12 | H31 | 123.9° | 60.0° |
| H11 | C13 | C14 | H32 | 98.6° | 60.0° |
| H11 | C13 | C14 | H33 | 142.7° | 180.0° |
| H12 | C15 | C14 | H32 | 82.7° | 180.0° |
| H12 | C15 | C14 | H33 | 158.7° | 60.0° |
| H12 | C15 | C16 | H34 | 70.6° | 179.9° |
| H12 | C15 | C16 | H35 | 47.7° | 60.1° |
| H13 | C15 | C14 | H32 | 35.6° | 60.1° |
| H13 | C15 | C14 | H33 | 83.0° | 180.0° |
| H13 | C15 | C16 | H34 | 171.1° | 60.0° |
| H13 | C15 | C16 | H35 | 70.6° | 180.0° |
| H14 | C17 | C16 | H34 | 169.2° | 180.0° |
| H14 | C17 | C16 | H35 | 72.4° | 59.9° |
| H14 | C17 | C18 | H36 | 178.1° | 180.0° |
| H14 | C17 | C18 | H37 | 60.3° | 60.0° |
| H15 | C17 | C16 | H34 | 49.5° | 59.9° |
| H15 | C17 | C16 | H35 | 167.8° | 180.0° |
| H15 | C17 | C18 | H36 | 62.1° | 60.0° |
| H15 | C17 | C18 | H37 | 179.9° | 180.0° |
| H16 | C20 | C21 | H18 | 8.4° | 60.1° |
| H16 | C20 | C21 | H19 | 127.3° | 180.0° |
| H16 | C20 | C19 | H38 | 122.3° | 180.0° |
| H16 | C20 | C19 | H39 | 3.5° | 60.0° |
| H17 | C20 | C21 | H18 | 109.7° | 180.0° |
| H17 | C20 | C21 | H19 | 9.2° | 60.0° |
| H17 | C20 | C19 | H38 | 119.6° | 59.9° |
| H17 | C20 | C19 | H39 | 121.6° | 180.0° |
| H18 | C21 | C22 | H20 | 154.6° | 180.0° |
| H18 | C21 | C22 | H21 | 86.3° | 59.9° |
| H19 | C21 | C22 | H20 | 35.6° | 59.9° |
| H19 | C21 | C22 | H21 | 154.7° | 180.0° |
| H20 | C22 | C23 | O1 | 91.8° | 59.9° |
| H21 | C22 | C23 | O1 | 149.0° | 60.0° |
| H22 | C26 | H23 | H24 | 120.0° | 120.0° |
| H25 | C1 | H26 | H27 | 120.0° | 120.0° |
| H28 | C11 | C12 | H30 | 178.7° | 60.0° |
| H28 | C11 | C12 | H31 | 62.9° | NaN° |
| H29 | C11 | C12 | H30 | 59.2° | NaN° |
| H29 | C11 | C12 | H31 | 177.5° | 60.0° |
| H36 | C18 | C19 | H38 | 110.7° | 60.0° |
| H36 | C18 | C19 | H39 | 130.5° | 180.0° |
| H37 | C18 | C19 | H38 | 7.2° | 180.0° |
| H37 | C18 | C19 | H39 | 111.6° | 60.0° |
| C23 | O1 | N1 | C2 | 90.0° | 90.0° |
| C23 | O1 | N1 | C5 | 90.0° | 90.3° |
| O1 | N1 | C2 | C5 | 90.0° | 179.7° |
| O1 | N1 | C5 | C24 | 90.0° | 180.0° |
| O1 | N1 | C2 | O3 | 90.0° | 0.0° |
| O1 | N1 | C5 | O2 | 90.0° | 0.0° |
| O1 | N1 | C2 | C30 | 90.0° | 180.0° |
| C2 | N1 | C5 | C24 | 90.0° | 0.3° |
| N1 | C2 | O3 | C30 | 90.0° | 180.0° |
| C2 | N1 | C5 | O2 | 90.0° | 179.7° |
| N1 | C2 | C30 | C24 | 90.0° | 0.1° |
| N1 | C2 | C30 | H47 | 90.0° | 118.5° |
| N1 | C2 | C30 | H48 | 90.0° | 118.5° |
| N1 | C5 | C24 | O2 | 90.0° | 180.0° |
| C5 | N1 | C2 | O3 | 90.0° | 179.7° |
| N1 | C5 | C24 | C30 | 90.0° | 0.2° |
| N1 | C5 | C24 | H40 | 90.0° | 118.5° |
| N1 | C5 | C24 | H44 | 90.0° | 118.5° |
| C5 | N1 | C2 | C30 | 90.0° | 0.3° |
| C5 | C24 | C30 | H40 | 90.0° | 118.4° |
| C5 | C24 | C30 | H44 | 90.0° | 118.6° |
| C5 | C24 | H40 | H44 | 90.0° | 122.9° |
| C5 | C24 | C30 | H47 | 90.0° | 118.6° |
| C5 | C24 | C30 | H48 | 90.0° | 118.4° |
| C5 | C24 | C30 | C2 | 90.0° | 0.0° |
| O3 | C2 | C30 | C24 | 90.0° | 179.8° |
| O3 | C2 | C30 | H47 | 90.0° | 61.5° |
| O3 | C2 | C30 | H48 | 90.0° | 61.5° |
| O2 | C5 | C24 | C30 | 90.0° | 179.9° |
| O2 | C5 | C24 | H40 | 90.0° | 61.5° |
| O2 | C5 | C24 | H44 | 90.0° | 61.4° |
| C30 | C24 | H40 | H44 | 90.0° | 123.1° |
| C24 | C30 | H47 | H48 | 90.0° | 122.9° |
| C24 | C30 | H47 | C2 | 90.0° | 114.2° |
| C24 | C30 | H48 | C2 | 90.0° | 114.0° |
| H40 | C24 | C30 | H47 | 90.0° | 123.0° |
| H40 | C24 | C30 | H48 | 90.0° | 0.0° |
| H40 | C24 | C30 | C2 | 90.0° | 118.4° |
| H44 | C24 | C30 | H47 | 90.0° | 0.0° |
| H44 | C24 | C30 | H48 | 90.0° | 123.0° |
| H44 | C24 | C30 | C2 | 90.0° | 118.6° |
| H47 | C30 | H48 | C2 | 90.0° | 123.0° |
