PK5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C22 | doub | 1.22Å | 1.23Å | |
| N5 | C22 | sing | 1.35Å | 1.37Å | |
| N5 | C21 | sing | 1.35Å | 1.38Å | |
| O1 | C21 | doub | 1.22Å | 1.23Å | |
| C22 | N4 | sing | 1.34Å | 1.38Å | |
| C21 | C19 | sing | 1.42Å | 1.45Å | |
| N4 | C17 | sing | 1.47Å | 1.49Å | |
| N4 | C18 | sing | 1.37Å | 1.38Å | |
| C19 | C18 | doub | 1.35Å | 1.34Å | |
| C19 | C20 | sing | 1.51Å | 1.54Å | |
| C17 | C23 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C24 | N3 | sing | 1.47Å | 1.47Å | |
| C15 | N3 | sing | 1.47Å | 1.46Å | |
| N3 | C14 | sing | 1.40Å | 1.40Å | |
| C14 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.08Å | 1.08Å | |
| C26 | H28 | sing | 1.08Å | 1.08Å | |
| N5 | H | sing | 0.97Å | 1.00Å | |
| N1 | C10 | sing | 1.46Å | 171.65Å | |
| C1 | N1 | sing | 1.35Å | 0.00Å | |
| C2 | C1 | sing | 1.51Å | 0.00Å | |
| O3 | C1 | doub | 1.21Å | 0.00Å | |
| C3 | N6 | sing | 1.49Å | 0.00Å | |
| N6 | C5 | sing | 1.47Å | 0.00Å | |
| C5 | N2 | sing | 1.49Å | 0.00Å | |
| N2 | C2 | sing | 1.47Å | 0.00Å | |
| C2 | C3 | sing | 1.55Å | 0.00Å | |
| C4 | C3 | sing | 1.53Å | 0.00Å | |
| C6 | C4 | sing | 1.53Å | 0.00Å | |
| C7 | C8 | sing | 1.54Å | 0.00Å | |
| C9 | C27 | sing | 1.54Å | 0.00Å | |
| C7 | N2 | sing | 1.46Å | 0.00Å | |
| C9 | C5 | sing | 1.52Å | 0.00Å | |
| C27 | C8 | sing | 1.53Å | 0.00Å | |
| N1 | H1 | sing | 0.97Å | 0.00Å | |
| C2 | H2 | sing | 1.09Å | 0.00Å | |
| C3 | H3 | sing | 1.09Å | 0.00Å | |
| N6 | H4 | sing | 1.01Å | 0.00Å | |
| C5 | H5 | sing | 1.09Å | 0.00Å | |
| C4 | H6 | sing | 1.09Å | 0.00Å | |
| C4 | H7 | sing | 1.09Å | 0.00Å | |
| C6 | H8 | sing | 1.09Å | 0.00Å | |
| C6 | H9 | sing | 1.09Å | 0.00Å | |
| C6 | H29 | sing | 1.09Å | 0.00Å | |
| C7 | H30 | sing | 1.09Å | 0.00Å | |
| C7 | H31 | sing | 1.09Å | 0.00Å | |
| C8 | H32 | sing | 1.09Å | 0.00Å | |
| C9 | H34 | sing | 1.09Å | 0.00Å | |
| C9 | H35 | sing | 1.09Å | 0.00Å | |
| C27 | H36 | sing | 1.09Å | 0.00Å | |
| C27 | H37 | sing | 1.09Å | 0.00Å | |
| CL1 | C8 | sing | 1.80Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C22 | N5 | 122.1° | 119.5° |
| O2 | C22 | N4 | 123.3° | 119.6° |
| C22 | N5 | C21 | 127.2° | 120.3° |
| N5 | C22 | N4 | 114.7° | 120.9° |
| C22 | N5 | H | 116.4° | 119.8° |
| N5 | C21 | O1 | 120.1° | 120.3° |
| N5 | C21 | C19 | 115.3° | 119.4° |
| C21 | N5 | H | 116.4° | 119.9° |
| O1 | C21 | C19 | 124.7° | 120.3° |
| C22 | N4 | C17 | 117.8° | 119.7° |
| C22 | N4 | C18 | 121.2° | 120.7° |
| C21 | C19 | C18 | 118.1° | 119.1° |
| C21 | C19 | C20 | 118.7° | 120.4° |
| C17 | N4 | C18 | 121.0° | 119.7° |
| N4 | C17 | C23 | 112.0° | 109.5° |
| N4 | C17 | C16 | 113.0° | 109.5° |
| N4 | C17 | H18 | 106.9° | 109.6° |
| N4 | C18 | C19 | 123.6° | 119.7° |
| N4 | C18 | H19 | 118.2° | 120.2° |
| C18 | C19 | C20 | 123.2° | 120.4° |
| C19 | C18 | H19 | 118.2° | 120.2° |
| C19 | C20 | H22 | 109.5° | 109.5° |
| C19 | C20 | H21 | 109.5° | 109.5° |
| C19 | C20 | H20 | 109.5° | 109.5° |
| C23 | C17 | C16 | 111.5° | 109.2° |
| C17 | C23 | C24 | 111.1° | 109.3° |
| C23 | C17 | H18 | 106.5° | 109.6° |
| C17 | C23 | H24 | 109.0° | 109.5° |
| C17 | C23 | H23 | 109.0° | 109.5° |
| C17 | C16 | C15 | 112.0° | 109.3° |
| C17 | C16 | H17 | 108.8° | 109.6° |
| C17 | C16 | H16 | 108.9° | 109.5° |
| C16 | C17 | H18 | 106.4° | 109.5° |
| C23 | C24 | N3 | 111.3° | 109.5° |
| C24 | C23 | H24 | 109.1° | 109.5° |
| C24 | C23 | H23 | 109.1° | 109.5° |
| C23 | C24 | H25 | 109.0° | 109.5° |
| C23 | C24 | H26 | 109.0° | 109.5° |
| C16 | C15 | N3 | 112.5° | 109.5° |
| C16 | C15 | H14 | 108.7° | 109.5° |
| C16 | C15 | H15 | 108.7° | 109.4° |
| C15 | C16 | H17 | 108.9° | 109.5° |
| C15 | C16 | H16 | 108.8° | 109.5° |
| C24 | N3 | C15 | 112.3° | 111.2° |
| C24 | N3 | C14 | 116.6° | 110.9° |
| N3 | C24 | H25 | 109.0° | 109.5° |
| N3 | C24 | H26 | 109.0° | 109.5° |
| C15 | N3 | C14 | 113.6° | 111.0° |
| N3 | C15 | H14 | 108.7° | 109.5° |
| N3 | C15 | H15 | 108.7° | 109.4° |
| N3 | C14 | C25 | 120.5° | 120.1° |
| N3 | C14 | C13 | 121.2° | 120.1° |
| C25 | C14 | C13 | 118.2° | 119.9° |
| C14 | C25 | C26 | 120.7° | 119.9° |
| C14 | C25 | H27 | 119.6° | 120.0° |
| C14 | C13 | C12 | 120.6° | 119.9° |
| C14 | C13 | H13 | 119.7° | 120.1° |
| C25 | C26 | C11 | 121.2° | 120.1° |
| C26 | C25 | H27 | 119.6° | 120.0° |
| C25 | C26 | H28 | 119.4° | 119.9° |
| C13 | C12 | C11 | 121.1° | 120.1° |
| C13 | C12 | H12 | 119.4° | 120.0° |
| C12 | C13 | H13 | 119.7° | 120.0° |
| C26 | C11 | C12 | 118.2° | 120.1° |
| C26 | C11 | C10 | 120.8° | 119.9° |
| C11 | C26 | H28 | 119.4° | 120.0° |
| C12 | C11 | C10 | 121.0° | 119.9° |
| C11 | C12 | H12 | 119.4° | 120.0° |
| C11 | C10 | H11 | 120.6° | 109.4° |
| C11 | C10 | H10 | 120.6° | 109.5° |
| C11 | C10 | N1 | 56.2° | 109.5° |
| H11 | C10 | H10 | 109.5° | 109.4° |
| H11 | C10 | N1 | 120.6° | 109.5° |
| H10 | C10 | N1 | 120.6° | 109.5° |
| H14 | C15 | H15 | 109.4° | 109.5° |
| H17 | C16 | H16 | 109.5° | 109.5° |
| H22 | C20 | H21 | 109.5° | 109.4° |
| H22 | C20 | H20 | 109.5° | 109.5° |
| H21 | C20 | H20 | 109.5° | 109.4° |
| H24 | C23 | H23 | 109.5° | 109.5° |
| H25 | C24 | H26 | 109.5° | 109.5° |
| C10 | N1 | C1 | 90.0° | 120.0° |
| C10 | N1 | H1 | 90.0° | 119.9° |
| N1 | C1 | C2 | 90.0° | 120.0° |
| N1 | C1 | O3 | 90.0° | 120.0° |
| C1 | N1 | H1 | 90.0° | 120.1° |
| C2 | C1 | O3 | 90.0° | 120.0° |
| C1 | C2 | N2 | 90.0° | 110.4° |
| C1 | C2 | C3 | 90.0° | 110.4° |
| C1 | C2 | H2 | 90.0° | 110.4° |
| C3 | N6 | C5 | 90.0° | 103.4° |
| N6 | C3 | C2 | 90.0° | 105.5° |
| N6 | C3 | C4 | 90.0° | 110.2° |
| N6 | C3 | H3 | 90.0° | 110.2° |
| C3 | N6 | H4 | 90.0° | 111.0° |
| N6 | C5 | N2 | 90.0° | 102.9° |
| N6 | C5 | C9 | 90.0° | 114.1° |
| C5 | N6 | H4 | 90.0° | 111.0° |
| N6 | C5 | H5 | 90.0° | 110.4° |
| C5 | N2 | C2 | 90.0° | 103.8° |
| C5 | N2 | C7 | 90.0° | 109.4° |
| N2 | C5 | C9 | 90.0° | 107.4° |
| N2 | C5 | H5 | 90.0° | 110.5° |
| N2 | C2 | C3 | 90.0° | 104.6° |
| C2 | N2 | C7 | 90.0° | 116.8° |
| N2 | C2 | H2 | 90.0° | 110.5° |
| C2 | C3 | C4 | 90.0° | 110.2° |
| C3 | C2 | H2 | 90.0° | 110.4° |
| C2 | C3 | H3 | 90.0° | 110.3° |
| C3 | C4 | C6 | 90.0° | 109.5° |
| C4 | C3 | H3 | 90.0° | 110.3° |
| C3 | C4 | H6 | 90.0° | 109.5° |
| C3 | C4 | H7 | 90.0° | 109.5° |
| C6 | C4 | H6 | 90.0° | 109.5° |
| C6 | C4 | H7 | 90.0° | 109.5° |
| C4 | C6 | H8 | 90.0° | 109.5° |
| C4 | C6 | H9 | 90.0° | 109.5° |
| C4 | C6 | H29 | 90.0° | 109.5° |
| C8 | C7 | N2 | 90.0° | 107.8° |
| C7 | C8 | C27 | 90.0° | 110.7° |
| C8 | C7 | H30 | 90.0° | 109.8° |
| C8 | C7 | H31 | 90.0° | 109.8° |
| C7 | C8 | H32 | 90.0° | 109.2° |
| C7 | C8 | CL1 | 90.0° | 109.2° |
| C27 | C9 | C5 | 90.0° | 107.6° |
| C9 | C27 | C8 | 90.0° | 110.7° |
| C27 | C9 | H34 | 90.0° | 109.8° |
| C27 | C9 | H35 | 90.0° | 109.9° |
| C9 | C27 | H36 | 90.0° | 109.2° |
| C9 | C27 | H37 | 90.0° | 109.3° |
| N2 | C7 | H30 | 90.0° | 109.8° |
| N2 | C7 | H31 | 90.0° | 109.8° |
| C9 | C5 | H5 | 90.0° | 111.1° |
| C5 | C9 | H34 | 90.0° | 109.9° |
| C5 | C9 | H35 | 90.0° | 109.8° |
| C27 | C8 | H32 | 90.0° | 109.3° |
| C8 | C27 | H36 | 90.0° | 109.2° |
| C8 | C27 | H37 | 90.0° | 109.3° |
| C27 | C8 | CL1 | 90.0° | 109.2° |
| H6 | C4 | H7 | 90.0° | 109.5° |
| H8 | C6 | H9 | 90.0° | 109.5° |
| H8 | C6 | H29 | 90.0° | 109.4° |
| H9 | C6 | H29 | 90.0° | 109.5° |
| H30 | C7 | H31 | 90.0° | 109.8° |
| H32 | C8 | CL1 | 90.0° | 109.2° |
| H34 | C9 | H35 | 90.0° | 109.9° |
| H36 | C27 | H37 | 90.0° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C22 | N5 | N4 | 178.7° | 180.0° |
| O2 | C22 | N5 | C21 | 178.1° | 179.8° |
| O2 | C22 | N4 | C17 | 1.8° | 0.1° |
| O2 | C22 | N4 | C18 | 178.4° | 180.0° |
| O2 | C22 | N5 | H | 1.9° | 0.0° |
| C22 | N5 | C21 | H | 180.0° | 179.8° |
| C22 | N5 | C21 | O1 | 179.5° | 179.8° |
| C22 | N5 | C21 | C19 | 0.1° | 0.2° |
| N5 | C22 | N4 | C17 | 179.6° | 180.0° |
| N5 | C22 | N4 | C18 | 0.2° | 0.0° |
| N5 | C21 | O1 | C19 | 179.6° | 180.0° |
| C21 | N5 | C22 | N4 | 0.6° | 0.2° |
| N5 | C21 | C19 | C18 | 0.6° | 0.0° |
| N5 | C21 | C19 | C20 | 178.3° | 179.9° |
| O1 | C21 | C19 | C18 | 179.8° | 180.0° |
| O1 | C21 | C19 | C20 | 1.2° | 0.0° |
| O1 | C21 | N5 | H | 0.5° | 0.1° |
| C22 | N4 | C17 | C18 | 179.8° | 179.9° |
| C22 | N4 | C18 | C19 | 0.5° | 0.2° |
| C22 | N4 | C17 | C23 | 78.6° | 120.2° |
| C22 | N4 | C17 | C16 | 154.5° | 120.1° |
| C22 | N4 | C17 | H18 | 37.7° | 0.0° |
| C22 | N4 | C18 | H19 | 179.5° | 180.0° |
| N4 | C22 | N5 | H | 179.4° | 179.9° |
| C21 | C19 | C18 | N4 | 1.0° | 0.2° |
| C21 | C19 | C18 | C20 | 178.9° | 179.9° |
| C21 | C19 | C18 | H19 | 179.1° | 180.0° |
| C21 | C19 | C20 | H22 | 180.0° | 89.9° |
| C21 | C19 | C20 | H21 | 60.0° | 30.0° |
| C21 | C19 | C20 | H20 | 60.0° | 150.0° |
| C19 | C21 | N5 | H | 179.9° | 179.9° |
| C17 | N4 | C18 | C19 | 179.7° | 179.8° |
| N4 | C17 | C23 | C16 | 127.8° | 119.9° |
| N4 | C17 | C23 | H18 | 116.6° | 120.2° |
| N4 | C17 | C16 | H18 | 117.1° | 120.1° |
| N4 | C17 | C23 | C24 | 75.9° | 62.2° |
| N4 | C17 | C16 | C15 | 78.7° | 62.3° |
| N4 | C17 | C16 | H17 | 160.9° | 57.7° |
| N4 | C17 | C16 | H16 | 41.7° | 177.8° |
| C17 | N4 | C18 | H19 | 0.3° | 0.1° |
| N4 | C17 | C23 | H24 | 44.4° | 57.7° |
| N4 | C17 | C23 | H23 | 163.8° | 177.8° |
| N4 | C18 | C19 | H19 | 180.0° | 179.8° |
| N4 | C18 | C19 | C20 | 178.0° | 179.7° |
| C18 | N4 | C17 | C23 | 101.6° | 59.8° |
| C18 | N4 | C17 | C16 | 25.3° | 59.9° |
| C18 | N4 | C17 | H18 | 142.1° | 180.0° |
| C18 | C19 | C20 | H22 | 1.1° | 90.0° |
| C18 | C19 | C20 | H21 | 121.1° | 150.0° |
| C18 | C19 | C20 | H20 | 118.9° | 30.0° |
| C20 | C19 | C18 | H19 | 2.0° | 0.1° |
| C19 | C20 | H22 | H21 | 120.0° | 120.0° |
| C19 | C20 | H22 | H20 | 120.0° | 120.0° |
| C19 | C20 | H21 | H20 | 120.0° | 120.0° |
| C23 | C17 | C16 | H18 | 115.7° | 120.0° |
| C17 | C23 | C24 | H24 | 120.2° | 119.9° |
| C17 | C23 | C24 | H23 | 120.2° | 120.0° |
| C23 | C17 | C16 | C15 | 48.6° | 57.6° |
| C17 | C23 | C24 | N3 | 56.8° | 59.2° |
| C23 | C17 | C16 | H17 | 71.8° | 177.6° |
| C23 | C17 | C16 | H16 | 168.9° | 62.3° |
| C17 | C23 | H24 | H23 | 119.2° | 120.1° |
| C17 | C23 | C24 | H25 | 63.4° | 179.2° |
| C17 | C23 | C24 | H26 | 177.1° | 60.8° |
| C16 | C17 | C23 | C24 | 51.9° | 57.7° |
| C17 | C16 | C15 | H17 | 120.4° | 120.0° |
| C17 | C16 | C15 | H16 | 120.4° | 119.9° |
| C17 | C16 | C15 | N3 | 50.4° | 59.2° |
| C17 | C16 | C15 | H14 | 170.9° | 60.8° |
| C17 | C16 | C15 | H15 | 70.0° | 179.1° |
| C17 | C16 | H17 | H16 | 118.9° | 120.1° |
| C16 | C17 | C23 | H24 | 172.1° | 177.6° |
| C16 | C17 | C23 | H23 | 68.4° | 62.3° |
| C23 | C24 | N3 | H25 | 120.3° | 120.0° |
| C23 | C24 | N3 | H26 | 120.3° | 120.0° |
| C23 | C24 | N3 | C15 | 59.0° | 61.8° |
| C23 | C24 | N3 | C14 | 167.5° | 174.2° |
| C24 | C23 | C17 | H18 | 167.5° | 177.6° |
| C24 | C23 | H24 | H23 | 119.3° | 120.1° |
| C23 | C24 | H25 | H26 | 119.2° | 120.0° |
| C16 | C15 | N3 | C24 | 55.7° | 61.8° |
| C16 | C15 | N3 | H14 | 120.5° | 120.0° |
| C16 | C15 | N3 | H15 | 120.5° | 119.9° |
| C16 | C15 | N3 | C14 | 169.3° | 174.2° |
| C16 | C15 | H14 | H15 | 118.6° | 120.0° |
| C15 | C16 | H17 | H16 | 118.8° | 120.1° |
| C15 | C16 | C17 | H18 | 164.3° | 177.6° |
| C24 | N3 | C15 | C14 | 135.0° | 124.0° |
| C24 | N3 | C14 | C25 | 6.2° | 55.8° |
| C24 | N3 | C14 | C13 | 177.5° | 124.2° |
| C24 | N3 | C15 | H14 | 176.2° | 58.2° |
| C24 | N3 | C15 | H15 | 64.8° | 178.3° |
| N3 | C24 | C23 | H24 | 177.0° | 179.1° |
| N3 | C24 | C23 | H23 | 63.4° | 60.8° |
| N3 | C24 | H25 | H26 | 119.2° | 120.0° |
| C15 | N3 | C14 | C25 | 126.8° | 180.0° |
| C15 | N3 | C14 | C13 | 49.6° | 0.0° |
| N3 | C15 | H14 | H15 | 118.6° | 120.0° |
| N3 | C15 | C16 | H17 | 70.0° | 179.2° |
| N3 | C15 | C16 | H16 | 170.8° | 60.8° |
| C15 | N3 | C24 | H25 | 61.3° | 178.2° |
| C15 | N3 | C24 | H26 | 179.2° | 58.2° |
| N3 | C14 | C25 | C13 | 176.5° | 180.0° |
| N3 | C14 | C25 | C26 | 175.9° | 179.7° |
| N3 | C14 | C13 | C12 | 175.8° | 180.0° |
| N3 | C14 | C13 | H13 | 4.1° | 0.0° |
| C14 | N3 | C15 | H14 | 48.9° | 65.8° |
| C14 | N3 | C15 | H15 | 70.2° | 54.2° |
| C14 | N3 | C24 | H25 | 72.3° | 54.2° |
| C14 | N3 | C24 | H26 | 47.2° | 65.8° |
| N3 | C14 | C25 | H27 | 4.1° | 0.0° |
| C14 | C25 | C26 | H27 | 180.0° | 179.7° |
| C25 | C14 | C13 | C12 | 0.6° | 0.0° |
| C14 | C25 | C26 | C11 | 0.2° | 0.5° |
| C25 | C14 | C13 | H13 | 179.4° | 180.0° |
| C14 | C25 | C26 | H28 | 179.8° | 180.0° |
| C13 | C14 | C25 | C26 | 0.6° | 0.3° |
| C14 | C13 | C12 | H13 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.3° | 0.0° |
| C14 | C13 | C12 | H12 | 179.7° | 180.0° |
| C13 | C14 | C25 | H27 | 179.4° | 180.0° |
| C25 | C26 | C11 | H28 | 180.0° | 179.5° |
| C25 | C26 | C11 | C12 | 0.1° | 0.5° |
| C25 | C26 | C11 | C10 | 179.5° | 179.7° |
| C13 | C12 | C11 | C26 | 0.0° | 0.3° |
| C13 | C12 | C11 | H12 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 179.6° | 180.0° |
| C26 | C11 | C12 | C10 | 179.6° | 179.7° |
| C26 | C11 | C10 | H11 | 59.1° | 29.8° |
| C26 | C11 | C10 | H10 | 157.7° | 149.7° |
| C26 | C11 | C12 | H12 | 180.0° | 179.7° |
| C11 | C26 | C25 | H27 | 179.8° | 179.7° |
| C26 | C11 | C10 | N1 | 49.3° | 90.3° |
| C12 | C11 | C10 | H11 | 121.3° | 150.0° |
| C12 | C11 | C10 | H10 | 21.8° | 30.1° |
| C11 | C12 | C13 | H13 | 179.7° | 180.0° |
| C12 | C11 | C26 | H28 | 179.9° | 179.9° |
| C12 | C11 | C10 | N1 | 130.2° | 90.0° |
| C11 | C10 | H11 | H10 | 146.8° | 119.9° |
| C11 | C10 | H11 | N1 | 66.4° | 120.0° |
| C11 | C10 | H10 | N1 | 66.4° | 120.0° |
| C10 | C11 | C12 | H12 | 0.4° | 0.0° |
| C10 | C11 | C26 | H28 | 0.5° | 0.2° |
| C11 | C10 | N1 | C1 | 90.0° | 180.0° |
| C11 | C10 | N1 | H1 | 90.0° | 0.0° |
| H11 | C10 | H10 | N1 | 146.8° | 120.0° |
| H11 | C10 | N1 | C1 | 90.0° | 60.0° |
| H11 | C10 | N1 | H1 | 90.0° | 120.0° |
| H10 | C10 | N1 | C1 | 90.0° | 60.0° |
| H10 | C10 | N1 | H1 | 90.0° | 120.1° |
| H12 | C12 | C13 | H13 | 0.3° | 0.1° |
| H14 | C15 | C16 | H17 | 50.5° | 59.1° |
| H14 | C15 | C16 | H16 | 68.7° | 179.2° |
| H15 | C15 | C16 | H17 | 169.6° | 60.9° |
| H15 | C15 | C16 | H16 | 50.4° | 59.2° |
| H17 | C16 | C17 | H18 | 43.9° | 62.5° |
| H16 | C16 | C17 | H18 | 75.4° | 57.7° |
| H18 | C17 | C23 | H24 | 72.2° | 62.5° |
| H18 | C17 | C23 | H23 | 47.3° | 57.6° |
| H22 | C20 | H21 | H20 | 120.0° | 120.0° |
| H24 | C23 | C24 | H25 | 56.8° | 60.9° |
| H24 | C23 | C24 | H26 | 62.7° | 59.1° |
| H23 | C23 | C24 | H25 | 176.3° | 59.2° |
| H23 | C23 | C24 | H26 | 56.8° | 179.2° |
| H27 | C25 | C26 | H28 | 0.3° | 0.2° |
| C10 | N1 | C1 | H1 | 90.0° | 180.0° |
| C10 | N1 | C1 | C2 | 90.0° | 179.9° |
| C10 | N1 | C1 | O3 | 90.0° | 0.0° |
| N1 | C1 | C2 | O3 | 90.0° | 179.9° |
| N1 | C1 | C2 | N2 | 90.0° | 144.9° |
| N1 | C1 | C2 | C3 | 90.0° | 99.9° |
| N1 | C1 | C2 | H2 | 90.0° | 22.5° |
| C1 | C2 | C3 | N6 | 90.0° | 116.1° |
| C1 | C2 | N2 | C5 | 90.0° | 90.6° |
| C1 | C2 | N2 | C3 | 90.0° | 118.8° |
| C1 | C2 | N2 | H2 | 90.0° | 122.4° |
| C1 | C2 | C3 | H2 | 90.0° | 122.4° |
| C1 | C2 | C3 | C4 | 90.0° | 124.9° |
| C1 | C2 | N2 | C7 | 90.0° | 29.8° |
| C2 | C1 | N1 | H1 | 90.0° | 0.0° |
| C1 | C2 | C3 | H3 | 90.0° | 3.0° |
| O3 | C1 | C2 | N2 | 90.0° | 35.1° |
| O3 | C1 | C2 | C3 | 90.0° | 80.0° |
| O3 | C1 | N1 | H1 | 90.0° | 180.0° |
| O3 | C1 | C2 | H2 | 90.0° | 157.6° |
| C3 | N6 | C5 | H4 | 90.0° | 119.1° |
| C3 | N6 | C5 | N2 | 90.0° | 41.8° |
| N6 | C3 | C2 | N2 | 90.0° | 2.7° |
| N6 | C3 | C2 | C4 | 90.0° | 119.0° |
| N6 | C3 | C2 | H3 | 90.0° | 119.0° |
| N6 | C3 | C4 | H3 | 90.0° | 122.0° |
| N6 | C3 | C4 | C6 | 90.0° | 69.0° |
| C3 | N6 | C5 | C9 | 90.0° | 157.8° |
| N6 | C3 | C2 | H2 | 90.0° | 121.6° |
| C3 | N6 | C5 | H5 | 90.0° | 76.2° |
| N6 | C3 | C4 | H6 | 90.0° | 51.1° |
| N6 | C3 | C4 | H7 | 90.0° | 171.0° |
| N6 | C5 | N2 | C9 | 90.0° | 120.7° |
| N6 | C5 | N2 | H5 | 90.0° | 117.9° |
| N6 | C5 | N2 | C2 | 90.0° | 44.1° |
| C5 | N6 | C3 | C2 | 90.0° | 24.0° |
| C5 | N6 | C3 | C4 | 90.0° | 143.0° |
| N6 | C5 | C9 | C27 | 90.0° | 176.3° |
| N6 | C5 | N2 | C7 | 90.0° | 169.4° |
| N6 | C5 | C9 | H5 | 90.0° | 125.6° |
| C5 | N6 | C3 | H3 | 90.0° | 95.1° |
| N6 | C5 | C9 | H34 | 90.0° | 56.8° |
| N6 | C5 | C9 | H35 | 90.0° | 64.2° |
| C5 | N2 | C2 | C7 | 90.0° | 120.4° |
| C5 | N2 | C2 | C3 | 90.0° | 28.2° |
| C5 | N2 | C7 | C8 | 90.0° | 65.6° |
| N2 | C5 | C9 | C27 | 90.0° | 62.9° |
| N2 | C5 | C9 | H5 | 90.0° | 121.0° |
| C5 | N2 | C2 | H2 | 90.0° | 147.0° |
| N2 | C5 | N6 | H4 | 90.0° | 77.3° |
| C5 | N2 | C7 | H30 | 90.0° | 54.0° |
| C5 | N2 | C7 | H31 | 90.0° | 174.9° |
| N2 | C5 | C9 | H34 | 90.0° | 56.5° |
| N2 | C5 | C9 | H35 | 90.0° | 177.5° |
| N2 | C2 | C3 | H2 | 90.0° | 118.9° |
| N2 | C2 | C3 | C4 | 90.0° | 116.3° |
| C2 | N2 | C7 | C8 | 90.0° | 177.0° |
| C2 | N2 | C5 | C9 | 90.0° | 164.8° |
| N2 | C2 | C3 | H3 | 90.0° | 121.7° |
| C2 | N2 | C5 | H5 | 90.0° | 73.8° |
| C2 | N2 | C7 | H30 | 90.0° | 63.4° |
| C2 | N2 | C7 | H31 | 90.0° | 57.4° |
| C2 | C3 | C4 | H3 | 90.0° | 122.0° |
| C2 | C3 | C4 | C6 | 90.0° | 175.0° |
| C3 | C2 | N2 | C7 | 90.0° | 148.6° |
| C2 | C3 | N6 | H4 | 90.0° | 95.1° |
| C2 | C3 | C4 | H6 | 90.0° | 65.0° |
| C2 | C3 | C4 | H7 | 90.0° | 55.0° |
| C3 | C4 | C6 | H6 | 90.0° | 120.0° |
| C3 | C4 | C6 | H7 | 90.0° | 120.0° |
| C4 | C3 | C2 | H2 | 90.0° | 2.6° |
| C4 | C3 | N6 | H4 | 90.0° | 23.9° |
| C3 | C4 | H6 | H7 | 90.0° | 120.0° |
| C3 | C4 | C6 | H8 | 90.0° | 180.0° |
| C3 | C4 | C6 | H9 | 90.0° | 60.0° |
| C3 | C4 | C6 | H29 | 90.0° | 60.0° |
| C6 | C4 | C3 | H3 | 90.0° | 53.0° |
| C6 | C4 | H6 | H7 | 90.0° | 120.0° |
| C4 | C6 | H8 | H9 | 90.0° | 120.0° |
| C4 | C6 | H8 | H29 | 90.0° | 120.0° |
| C4 | C6 | H9 | H29 | 90.0° | 120.0° |
| C7 | C8 | C27 | C9 | 90.0° | 53.7° |
| C8 | C7 | N2 | H30 | 90.0° | 119.6° |
| C8 | C7 | N2 | H31 | 90.0° | 119.6° |
| C7 | C8 | C27 | H32 | 90.0° | 120.3° |
| C7 | C8 | C27 | CL1 | 90.0° | 120.3° |
| C8 | C7 | H30 | H31 | 90.0° | 120.8° |
| C7 | C8 | H32 | CL1 | 90.0° | 119.4° |
| C7 | C8 | C27 | H36 | 90.0° | 66.5° |
| C7 | C8 | C27 | H37 | 90.0° | 174.0° |
| C27 | C9 | C5 | H34 | 90.0° | 119.5° |
| C27 | C9 | C5 | H35 | 90.0° | 119.5° |
| C9 | C27 | C8 | H36 | 90.0° | 120.3° |
| C9 | C27 | C8 | H37 | 90.0° | 120.3° |
| C27 | C9 | C5 | H5 | 90.0° | 58.1° |
| C9 | C27 | C8 | H32 | 90.0° | 174.0° |
| C27 | C9 | H34 | H35 | 90.0° | 120.9° |
| C9 | C27 | H36 | H37 | 90.0° | 119.4° |
| C9 | C27 | C8 | CL1 | 90.0° | 66.6° |
| C7 | N2 | C5 | C9 | 90.0° | 69.8° |
| N2 | C7 | C8 | C27 | 90.0° | 57.3° |
| C7 | N2 | C2 | H2 | 90.0° | 92.6° |
| C7 | N2 | C5 | H5 | 90.0° | 51.5° |
| N2 | C7 | H30 | H31 | 90.0° | 120.8° |
| N2 | C7 | C8 | H32 | 90.0° | 177.6° |
| N2 | C7 | C8 | CL1 | 90.0° | 62.9° |
| C5 | C9 | C27 | C8 | 90.0° | 56.2° |
| C9 | C5 | N6 | H4 | 90.0° | 38.8° |
| C5 | C9 | H34 | H35 | 90.0° | 121.0° |
| C5 | C9 | C27 | H36 | 90.0° | 64.1° |
| C5 | C9 | C27 | H37 | 90.0° | 176.5° |
| C27 | C8 | C7 | H30 | 90.0° | 62.3° |
| C27 | C8 | C7 | H31 | 90.0° | 176.9° |
| C27 | C8 | H32 | CL1 | 90.0° | 119.4° |
| C8 | C27 | C9 | H34 | 90.0° | 63.3° |
| C8 | C27 | C9 | H35 | 90.0° | 175.7° |
| C8 | C27 | H36 | H37 | 90.0° | 119.4° |
| H2 | C2 | C3 | H3 | 90.0° | 119.4° |
| H3 | C3 | N6 | H4 | 90.0° | 145.9° |
| H3 | C3 | C4 | H6 | 90.0° | 173.0° |
| H3 | C3 | C4 | H7 | 90.0° | 67.0° |
| H4 | N6 | C5 | H5 | 90.0° | 164.7° |
| H5 | C5 | C9 | H34 | 90.0° | 177.5° |
| H5 | C5 | C9 | H35 | 90.0° | 61.4° |
| H6 | C4 | C6 | H8 | 90.0° | 60.0° |
| H6 | C4 | C6 | H9 | 90.0° | 180.0° |
| H6 | C4 | C6 | H29 | 90.0° | 60.0° |
| H7 | C4 | C6 | H8 | 90.0° | 60.0° |
| H7 | C4 | C6 | H9 | 90.0° | 60.0° |
| H7 | C4 | C6 | H29 | 90.0° | 179.9° |
| H8 | C6 | H9 | H29 | 90.0° | 120.0° |
| H30 | C7 | C8 | H32 | 90.0° | 58.0° |
| H30 | C7 | C8 | CL1 | 90.0° | 177.5° |
| H31 | C7 | C8 | H32 | 90.0° | 62.8° |
| H31 | C7 | C8 | CL1 | 90.0° | 56.6° |
| H32 | C8 | C27 | H36 | 90.0° | 53.8° |
| H32 | C8 | C27 | H37 | 90.0° | 65.6° |
| H34 | C9 | C27 | H36 | 90.0° | 176.4° |
| H34 | C9 | C27 | H37 | 90.0° | 57.0° |
| H35 | C9 | C27 | H36 | 90.0° | 55.4° |
| H35 | C9 | C27 | H37 | 90.0° | 64.0° |
| H36 | C27 | C8 | CL1 | 90.0° | 173.2° |
| H37 | C27 | C8 | CL1 | 90.0° | 53.8° |
