A1EDK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C20 | doub | 1.22Å | 1.25Å | |
| O2 | C21 | sing | 1.35Å | 1.33Å | |
| C20 | N2 | sing | 1.34Å | 1.34Å | |
| C20 | C19 | sing | 1.46Å | 1.47Å | |
| C21 | C19 | doub | 1.40Å | 1.40Å | |
| C21 | C22 | sing | 1.41Å | 1.41Å | |
| N2 | C17 | sing | 1.47Å | 1.46Å | |
| C19 | C18 | sing | 1.42Å | 1.45Å | |
| C23 | C22 | doub | 1.35Å | 1.38Å | |
| C23 | C24 | sing | 1.42Å | 1.43Å | |
| O3 | C26 | sing | 1.43Å | 1.43Å | |
| C25 | C24 | doub | 1.34Å | 1.32Å | |
| C25 | C26 | sing | 1.51Å | 1.51Å | |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C18 | O4 | doub | 1.22Å | 1.23Å | |
| C26 | C7 | sing | 1.53Å | 1.51Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.54Å | 1.53Å | |
| C7 | C6 | sing | 1.54Å | 1.55Å | |
| C9 | C10 | doub | 1.34Å | 1.33Å | |
| C9 | C8 | sing | 1.50Å | 1.49Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.46Å | 1.44Å | |
| C11 | C12 | doub | 1.34Å | 1.33Å | |
| C8 | C27 | sing | 1.53Å | 1.57Å | |
| C4 | C6 | sing | 1.53Å | 1.55Å | |
| C4 | C3 | sing | 1.53Å | 1.56Å | |
| C12 | C13 | sing | 1.46Å | 1.38Å | |
| C6 | C28 | sing | 1.53Å | 1.56Å | |
| O5 | C13 | doub | 1.22Å | 1.23Å | |
| C13 | N1 | sing | 1.37Å | 1.34Å | |
| C14 | N1 | sing | 1.50Å | 1.46Å | |
| C27 | C28 | sing | 1.54Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C3 | C29 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.07Å | 1.08Å | |
| C25 | H13 | sing | 1.08Å | 1.08Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.06Å | 1.08Å | |
| C11 | H22 | sing | 1.08Å | 1.08Å | |
| C12 | H23 | sing | 1.09Å | 1.08Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.08Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C3 | H35 | sing | 1.09Å | 1.10Å | |
| C7 | H36 | sing | 1.09Å | 1.10Å | |
| C9 | H37 | sing | 1.08Å | 1.08Å | |
| N2 | H38 | sing | 0.97Å | 1.00Å | |
| O2 | H39 | sing | 0.97Å | 0.95Å | |
| O3 | H40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C20 | N2 | 126.9° | 124.6° |
| O1 | C20 | C19 | 123.4° | 124.7° |
| O2 | C21 | C19 | 116.2° | 120.2° |
| O2 | C21 | C22 | 115.7° | 120.3° |
| C21 | O2 | H39 | 109.5° | 114.0° |
| N2 | C20 | C19 | 109.7° | 110.6° |
| C20 | N2 | C17 | 112.9° | 108.9° |
| C20 | N2 | H38 | 123.5° | 125.6° |
| C20 | C19 | C21 | 119.2° | 126.6° |
| C20 | C19 | C18 | 106.8° | 108.2° |
| C19 | C21 | C22 | 127.9° | 119.5° |
| C21 | C19 | C18 | 133.9° | 125.2° |
| C21 | C22 | C23 | 127.1° | 121.6° |
| C21 | C22 | H32 | 116.5° | 119.1° |
| N2 | C17 | C18 | 103.0° | 106.1° |
| N2 | C17 | C16 | 112.7° | 110.5° |
| N2 | C17 | H30 | 109.3° | 110.4° |
| C17 | N2 | H38 | 123.5° | 125.5° |
| C19 | C18 | C17 | 107.5° | 105.7° |
| C19 | C18 | O4 | 129.7° | 127.1° |
| C22 | C23 | C24 | 128.5° | 120.2° |
| C22 | C23 | H10 | 115.7° | 120.1° |
| C23 | C22 | H32 | 116.4° | 119.3° |
| C23 | C24 | C25 | 125.6° | 119.0° |
| C24 | C23 | H10 | 115.7° | 119.8° |
| C23 | C24 | H12 | 117.2° | 121.3° |
| O3 | C26 | C25 | 103.4° | 109.5° |
| O3 | C26 | C7 | 113.2° | 109.4° |
| O3 | C26 | H33 | 109.4° | 109.5° |
| C26 | O3 | H40 | 109.5° | 114.0° |
| C24 | C25 | C26 | 126.0° | 120.3° |
| C25 | C24 | H12 | 117.2° | 119.6° |
| C24 | C25 | H13 | 117.0° | 119.3° |
| C25 | C26 | C7 | 114.1° | 109.5° |
| C26 | C25 | H13 | 117.0° | 120.3° |
| C25 | C26 | H33 | 108.3° | 109.5° |
| C18 | C17 | C16 | 115.1° | 109.7° |
| C17 | C18 | O4 | 122.9° | 127.2° |
| C18 | C17 | H30 | 108.3° | 110.0° |
| C17 | C16 | C15 | 116.0° | 109.1° |
| C17 | C16 | H29 | 107.8° | 109.5° |
| C17 | C16 | H28 | 107.8° | 109.6° |
| C16 | C17 | H30 | 108.3° | 110.0° |
| C26 | C7 | C8 | 109.6° | 110.4° |
| C26 | C7 | C6 | 115.8° | 110.0° |
| C7 | C26 | H33 | 108.3° | 109.4° |
| C26 | C7 | H36 | 110.0° | 110.4° |
| C16 | C15 | C14 | 113.3° | 110.1° |
| C16 | C15 | H27 | 108.5° | 109.4° |
| C16 | C15 | H26 | 108.5° | 109.3° |
| C15 | C16 | H29 | 107.8° | 109.6° |
| C15 | C16 | H28 | 107.8° | 109.6° |
| C15 | C14 | N1 | 109.1° | 107.3° |
| C15 | C14 | H25 | 109.6° | 109.9° |
| C15 | C14 | H24 | 109.6° | 109.9° |
| C14 | C15 | H27 | 108.5° | 109.3° |
| C14 | C15 | H26 | 108.5° | 109.3° |
| C8 | C7 | C6 | 101.9° | 107.2° |
| C7 | C8 | C9 | 128.0° | 109.8° |
| C7 | C8 | C27 | 101.7° | 107.4° |
| C7 | C8 | H1 | 106.8° | 109.1° |
| C8 | C7 | H36 | 109.7° | 109.7° |
| C7 | C6 | C4 | 119.7° | 110.1° |
| C7 | C6 | C28 | 105.2° | 107.3° |
| C7 | C6 | H5 | 109.8° | 110.7° |
| C6 | C7 | H36 | 109.5° | 109.1° |
| C10 | C9 | C8 | 122.6° | 120.9° |
| C9 | C10 | C11 | 126.5° | 117.6° |
| C9 | C10 | H21 | 116.8° | 119.7° |
| C10 | C9 | H37 | 118.7° | 118.8° |
| C9 | C8 | C27 | 104.7° | 111.9° |
| C9 | C8 | H1 | 107.4° | 109.6° |
| C8 | C9 | H37 | 118.7° | 120.3° |
| C5 | C4 | C6 | 114.9° | 109.9° |
| C5 | C4 | C3 | 113.9° | 109.9° |
| C4 | C5 | H3 | 109.5° | 109.5° |
| C4 | C5 | H4 | 109.5° | 109.5° |
| C4 | C5 | H2 | 109.5° | 109.5° |
| C5 | C4 | H9 | 106.3° | 109.8° |
| C10 | C11 | C12 | 125.5° | 118.8° |
| C11 | C10 | H21 | 116.8° | 122.6° |
| C10 | C11 | H22 | 117.3° | 120.2° |
| C11 | C12 | C13 | 123.9° | 122.3° |
| C12 | C11 | H22 | 117.3° | 121.0° |
| C11 | C12 | H23 | 118.0° | 119.0° |
| C8 | C27 | C28 | 106.2° | 105.4° |
| C27 | C8 | H1 | 106.4° | 109.0° |
| C8 | C27 | H15 | 110.3° | 110.2° |
| C8 | C27 | H14 | 110.3° | 110.2° |
| C6 | C4 | C3 | 108.8° | 107.5° |
| C4 | C6 | C28 | 102.1° | 107.2° |
| C4 | C6 | H5 | 109.8° | 110.7° |
| C6 | C4 | H9 | 106.2° | 109.8° |
| C4 | C3 | C2 | 115.0° | 109.8° |
| C4 | C3 | C29 | 100.6° | 107.9° |
| C3 | C4 | H9 | 106.0° | 109.9° |
| C4 | C3 | H35 | 107.9° | 109.8° |
| C12 | C13 | O5 | 121.6° | 121.6° |
| C12 | C13 | N1 | 115.7° | 116.7° |
| C13 | C12 | H23 | 118.1° | 118.7° |
| C6 | C28 | C27 | 105.1° | 107.5° |
| C6 | C28 | C29 | 106.7° | 107.7° |
| C28 | C6 | H5 | 109.6° | 110.8° |
| C6 | C28 | H34 | 109.7° | 110.6° |
| O5 | C13 | N1 | 122.5° | 121.7° |
| C13 | N1 | C14 | 121.2° | 113.0° |
| C13 | N1 | H6 | 119.4° | 123.5° |
| C14 | N1 | H6 | 119.4° | 123.5° |
| N1 | C14 | H25 | 109.6° | 109.9° |
| N1 | C14 | H24 | 109.6° | 109.9° |
| C27 | C28 | C29 | 114.9° | 110.0° |
| C28 | C27 | H15 | 110.2° | 110.3° |
| C28 | C27 | H14 | 110.3° | 110.3° |
| C27 | C28 | H34 | 110.1° | 110.2° |
| C2 | C3 | C29 | 116.2° | 109.8° |
| C3 | C2 | C1 | 113.0° | 109.5° |
| C3 | C2 | H7 | 108.6° | 109.4° |
| C3 | C2 | H8 | 108.6° | 109.4° |
| C2 | C3 | H35 | 108.5° | 109.8° |
| C3 | C29 | C28 | 101.7° | 107.7° |
| C3 | C29 | H16 | 111.4° | 109.8° |
| C3 | C29 | H17 | 111.4° | 109.9° |
| C29 | C3 | H35 | 108.1° | 109.8° |
| C1 | C2 | H7 | 108.6° | 109.5° |
| C1 | C2 | H8 | 108.6° | 109.5° |
| C2 | C1 | H20 | 109.5° | 109.4° |
| C2 | C1 | H18 | 109.5° | 109.5° |
| C2 | C1 | H19 | 109.5° | 109.4° |
| C28 | C29 | H16 | 111.4° | 109.8° |
| C28 | C29 | H17 | 111.4° | 109.8° |
| C29 | C28 | H34 | 110.0° | 110.8° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H3 | C5 | H2 | 109.5° | 109.5° |
| H4 | C5 | H2 | 109.5° | 109.4° |
| H7 | C2 | H8 | 109.5° | 109.5° |
| H15 | C27 | H14 | 109.5° | 110.3° |
| H16 | C29 | H17 | 109.4° | 109.8° |
| H20 | C1 | H18 | 109.5° | 109.5° |
| H20 | C1 | H19 | 109.5° | 109.5° |
| H18 | C1 | H19 | 109.4° | 109.5° |
| H25 | C14 | H24 | 109.5° | 109.9° |
| H27 | C15 | H26 | 109.5° | 109.4° |
| H29 | C16 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C20 | N2 | C19 | 179.9° | 180.0° |
| O1 | C20 | C19 | C21 | 0.5° | 4.1° |
| O1 | C20 | N2 | C17 | 179.9° | 179.5° |
| O1 | C20 | C19 | C18 | 178.1° | 176.3° |
| O1 | C20 | N2 | H38 | 0.1° | 0.5° |
| O2 | C21 | C19 | C20 | 2.3° | 1.4° |
| O2 | C21 | C19 | C22 | 175.0° | 179.7° |
| O2 | C21 | C19 | C18 | 175.8° | 179.0° |
| O2 | C21 | C22 | C23 | 3.0° | 32.8° |
| O2 | C21 | C22 | H32 | 177.0° | 146.5° |
| N2 | C20 | C19 | C21 | 179.6° | 176.0° |
| C20 | N2 | C17 | H38 | 180.0° | 180.0° |
| N2 | C20 | C19 | C18 | 1.8° | 3.7° |
| C20 | N2 | C17 | C18 | 1.9° | 4.2° |
| C20 | N2 | C17 | C16 | 126.5° | 114.6° |
| C20 | N2 | C17 | H30 | 113.0° | 123.4° |
| C20 | C19 | C21 | C18 | 178.1° | 179.6° |
| C20 | C19 | C21 | C22 | 177.2° | 178.8° |
| C19 | C20 | N2 | C17 | 0.2° | 0.5° |
| C20 | C19 | C18 | C17 | 2.9° | 6.1° |
| C20 | C19 | C18 | O4 | 178.0° | 173.9° |
| C19 | C20 | N2 | H38 | 179.8° | 179.5° |
| C19 | C21 | C22 | C23 | 172.0° | 147.5° |
| C21 | C19 | C18 | C17 | 178.8° | 173.6° |
| C21 | C19 | C18 | O4 | 0.2° | 6.4° |
| C19 | C21 | C22 | H32 | 8.0° | 33.3° |
| C19 | C21 | O2 | H39 | 2.0° | 180.0° |
| C22 | C21 | C19 | C18 | 0.9° | 0.8° |
| C21 | C22 | C23 | H32 | 180.0° | 179.3° |
| C21 | C22 | C23 | C24 | 171.7° | 178.2° |
| C21 | C22 | C23 | H10 | 8.3° | 1.6° |
| C22 | C21 | O2 | H39 | 177.6° | 0.3° |
| N2 | C17 | C18 | C19 | 2.9° | 6.3° |
| N2 | C17 | C18 | C16 | 123.0° | 119.4° |
| N2 | C17 | C18 | H30 | 115.7° | 119.5° |
| N2 | C17 | C16 | H30 | 121.0° | 122.2° |
| N2 | C17 | C18 | O4 | 178.0° | 173.7° |
| N2 | C17 | C16 | C15 | 46.6° | 176.9° |
| N2 | C17 | C16 | H29 | 167.6° | 57.0° |
| N2 | C17 | C16 | H28 | 74.3° | 63.1° |
| C19 | C18 | C17 | O4 | 179.1° | 180.0° |
| C19 | C18 | C17 | C16 | 125.9° | 113.1° |
| C19 | C18 | C17 | H30 | 112.7° | 125.8° |
| C22 | C23 | C24 | H10 | 180.0° | 179.8° |
| C22 | C23 | C24 | C25 | 172.6° | 133.6° |
| C22 | C23 | C24 | H12 | 7.4° | 43.1° |
| C23 | C24 | C25 | H12 | 180.0° | 176.8° |
| C23 | C24 | C25 | C26 | 172.0° | 179.7° |
| C23 | C24 | C25 | H13 | 8.0° | 0.2° |
| C24 | C23 | C22 | H32 | 8.3° | 2.5° |
| O3 | C26 | C25 | C24 | 152.3° | 86.4° |
| O3 | C26 | C25 | C7 | 123.4° | 120.0° |
| O3 | C26 | C25 | H33 | 116.0° | 120.0° |
| O3 | C26 | C7 | H33 | 121.5° | 120.0° |
| O3 | C26 | C7 | C8 | 169.6° | 135.5° |
| O3 | C26 | C7 | C6 | 75.9° | 17.4° |
| O3 | C26 | C25 | H13 | 27.8° | 93.8° |
| O3 | C26 | C7 | H36 | 48.9° | 103.0° |
| C24 | C25 | C26 | H13 | 180.0° | 179.9° |
| C24 | C25 | C26 | C7 | 84.4° | 153.6° |
| C25 | C24 | C23 | H10 | 7.4° | 46.2° |
| C24 | C25 | C26 | H33 | 36.2° | 33.6° |
| C25 | C26 | C7 | H33 | 120.6° | 120.0° |
| C25 | C26 | C7 | C8 | 51.7° | 104.4° |
| C25 | C26 | C7 | C6 | 166.3° | 137.4° |
| C26 | C25 | C24 | H12 | 8.0° | 2.9° |
| C25 | C26 | C7 | H36 | 69.0° | 17.0° |
| C25 | C26 | O3 | H40 | 180.0° | 60.0° |
| C18 | C17 | C16 | H30 | 121.3° | 121.2° |
| C18 | C17 | C16 | C15 | 71.1° | 60.2° |
| C18 | C17 | C16 | H29 | 49.9° | 59.7° |
| C18 | C17 | C16 | H28 | 168.0° | 179.8° |
| C18 | C17 | N2 | H38 | 178.1° | 175.8° |
| C16 | C17 | C18 | O4 | 55.0° | 66.9° |
| C17 | C16 | C15 | H29 | 120.9° | 119.8° |
| C17 | C16 | C15 | H28 | 120.9° | 120.0° |
| C17 | C16 | C15 | C14 | 127.4° | 176.6° |
| C17 | C16 | C15 | H27 | 112.0° | 63.2° |
| C17 | C16 | C15 | H26 | 6.9° | 56.5° |
| C17 | C16 | H29 | H28 | 117.0° | 120.2° |
| C16 | C17 | N2 | H38 | 53.5° | 65.4° |
| O4 | C18 | C17 | H30 | 66.4° | 54.2° |
| C26 | C7 | C8 | C6 | 123.2° | 119.9° |
| C26 | C7 | C8 | H36 | 120.9° | 121.9° |
| C26 | C7 | C6 | H36 | 125.0° | 121.2° |
| C26 | C7 | C8 | C9 | 73.2° | 103.1° |
| C26 | C7 | C8 | C27 | 167.3° | 135.0° |
| C26 | C7 | C6 | C4 | 88.8° | 122.3° |
| C26 | C7 | C6 | C28 | 157.3° | 121.4° |
| C26 | C7 | C8 | H1 | 56.0° | 17.0° |
| C26 | C7 | C6 | H5 | 39.5° | 0.4° |
| C7 | C26 | C25 | H13 | 95.6° | 26.2° |
| C7 | C26 | O3 | H40 | 56.1° | 180.0° |
| C16 | C15 | C14 | H27 | 120.6° | 120.2° |
| C16 | C15 | C14 | H26 | 120.6° | 120.1° |
| C16 | C15 | C14 | N1 | 70.4° | 162.9° |
| C16 | C15 | C14 | H25 | 49.5° | 43.5° |
| C16 | C15 | C14 | H24 | 169.6° | 77.6° |
| C16 | C15 | H27 | H26 | 118.3° | 119.6° |
| C15 | C16 | H29 | H28 | 117.0° | 120.2° |
| C15 | C16 | C17 | H30 | 167.6° | 60.9° |
| C15 | C14 | N1 | C13 | 78.8° | 111.8° |
| C15 | C14 | N1 | H25 | 119.9° | 119.4° |
| C15 | C14 | N1 | H24 | 120.0° | 119.5° |
| C15 | C14 | N1 | H6 | 101.2° | 68.3° |
| C15 | C14 | H25 | H24 | 120.2° | 121.1° |
| C14 | C15 | H27 | H26 | 118.2° | 119.7° |
| C14 | C15 | C16 | H29 | 6.5° | 56.8° |
| C14 | C15 | C16 | H28 | 111.6° | 63.4° |
| C8 | C7 | C6 | H36 | 116.1° | 118.7° |
| C7 | C8 | C9 | C10 | 142.8° | 166.3° |
| C7 | C8 | C9 | C27 | 118.2° | 119.1° |
| C7 | C8 | C9 | H1 | 129.0° | 119.8° |
| C7 | C8 | C27 | H1 | 111.6° | 118.0° |
| C8 | C7 | C6 | C4 | 152.3° | 117.6° |
| C8 | C7 | C6 | C28 | 38.4° | 1.3° |
| C7 | C8 | C27 | C28 | 34.5° | 22.9° |
| C8 | C7 | C6 | H5 | 79.4° | 119.7° |
| C7 | C8 | C27 | H15 | 154.0° | 141.9° |
| C7 | C8 | C27 | H14 | 85.0° | 96.2° |
| C8 | C7 | C26 | H33 | 68.9° | 15.6° |
| C7 | C8 | C9 | H37 | 37.2° | 13.5° |
| C6 | C7 | C8 | C9 | 163.6° | 137.0° |
| C7 | C6 | C4 | C5 | 107.4° | 109.7° |
| C6 | C7 | C8 | C27 | 44.2° | 15.1° |
| C7 | C6 | C4 | C28 | 115.5° | 116.3° |
| C7 | C6 | C4 | H5 | 128.2° | 122.8° |
| C7 | C6 | C4 | C3 | 123.5° | 130.8° |
| C7 | C6 | C28 | H5 | 117.9° | 121.0° |
| C7 | C6 | C28 | C27 | 16.8° | 12.9° |
| C7 | C6 | C28 | C29 | 105.6° | 131.5° |
| C6 | C7 | C8 | H1 | 67.1° | 102.9° |
| C7 | C6 | C4 | H9 | 9.7° | 11.2° |
| C6 | C7 | C26 | H33 | 45.6° | 102.5° |
| C7 | C6 | C28 | H34 | 135.2° | 107.4° |
| C10 | C9 | C8 | H37 | 180.0° | 179.8° |
| C9 | C10 | C11 | H21 | 180.0° | 176.7° |
| C9 | C10 | C11 | C12 | 172.2° | 122.7° |
| C10 | C9 | C8 | C27 | 99.0° | 74.5° |
| C10 | C9 | C8 | H1 | 13.8° | 46.5° |
| C9 | C10 | C11 | H22 | 7.9° | 57.5° |
| C8 | C9 | C10 | C11 | 163.3° | 175.2° |
| C9 | C8 | C27 | H1 | 113.5° | 121.4° |
| C9 | C8 | C27 | C28 | 169.4° | 143.4° |
| C9 | C8 | C27 | H15 | 71.2° | 97.6° |
| C9 | C8 | C27 | H14 | 49.9° | 24.4° |
| C8 | C9 | C10 | H21 | 16.7° | 1.6° |
| C9 | C8 | C7 | H36 | 47.7° | 18.7° |
| C5 | C4 | C6 | C3 | 129.1° | 119.5° |
| C5 | C4 | C6 | H9 | 117.2° | 120.9° |
| C5 | C4 | C3 | H9 | 116.5° | 121.0° |
| C5 | C4 | C6 | C28 | 137.1° | 134.0° |
| C5 | C4 | C3 | C2 | 72.3° | 110.6° |
| C5 | C4 | C3 | C29 | 162.1° | 129.7° |
| C4 | C5 | H3 | H4 | 120.0° | 120.0° |
| C4 | C5 | H3 | H2 | 120.0° | 120.0° |
| C4 | C5 | H4 | H2 | 120.0° | 120.0° |
| C5 | C4 | C6 | H5 | 20.8° | 13.1° |
| C5 | C4 | C3 | H35 | 48.9° | 10.2° |
| C10 | C11 | C12 | H22 | 180.0° | 179.8° |
| C10 | C11 | C12 | C13 | 173.7° | 171.5° |
| C10 | C11 | C12 | H23 | 6.3° | 8.7° |
| C11 | C10 | C9 | H37 | 16.7° | 4.6° |
| C11 | C12 | C13 | H23 | 180.0° | 179.8° |
| C11 | C12 | C13 | O5 | 7.1° | 4.5° |
| C11 | C12 | C13 | N1 | 176.2° | 175.5° |
| C12 | C11 | C10 | H21 | 7.8° | 54.0° |
| C8 | C27 | C28 | C6 | 10.8° | 22.1° |
| C8 | C27 | C28 | H15 | 119.5° | 119.0° |
| C8 | C27 | C28 | H14 | 119.5° | 119.0° |
| C8 | C27 | C28 | C29 | 127.7° | 139.1° |
| C8 | C27 | H15 | H14 | 121.5° | 122.0° |
| C8 | C27 | C28 | H34 | 107.4° | 98.5° |
| C27 | C8 | C7 | H36 | 71.8° | 103.2° |
| C27 | C8 | C9 | H37 | 80.9° | 105.7° |
| C6 | C4 | C3 | H9 | 113.8° | 119.5° |
| C4 | C6 | C28 | H5 | 116.4° | 120.9° |
| C4 | C6 | C28 | C27 | 142.5° | 105.2° |
| C6 | C4 | C3 | C2 | 158.1° | 129.9° |
| C6 | C4 | C3 | C29 | 32.4° | 10.2° |
| C4 | C6 | C28 | C29 | 20.0° | 13.3° |
| C6 | C4 | C5 | H3 | 180.0° | 60.0° |
| C6 | C4 | C5 | H4 | 60.0° | 180.0° |
| C6 | C4 | C5 | H2 | 60.0° | 60.0° |
| C4 | C6 | C28 | H34 | 99.1° | 134.4° |
| C6 | C4 | C3 | H35 | 80.7° | 109.4° |
| C4 | C6 | C7 | H36 | 36.2° | 1.1° |
| C3 | C4 | C6 | C28 | 8.0° | 14.5° |
| C4 | C3 | C2 | C29 | 117.1° | 118.5° |
| C4 | C3 | C2 | H35 | 120.9° | 120.7° |
| C4 | C3 | C29 | H35 | 113.0° | 119.6° |
| C4 | C3 | C2 | C1 | 167.6° | 175.0° |
| C4 | C3 | C29 | C28 | 43.4° | 2.0° |
| C3 | C4 | C5 | H3 | 53.5° | 58.1° |
| C3 | C4 | C5 | H4 | 173.5° | 62.0° |
| C3 | C4 | C5 | H2 | 66.5° | 178.1° |
| C3 | C4 | C6 | H5 | 108.3° | 106.4° |
| C4 | C3 | C2 | H7 | 71.8° | 55.0° |
| C4 | C3 | C2 | H8 | 47.1° | 65.0° |
| C4 | C3 | C29 | H16 | 75.3° | 121.6° |
| C4 | C3 | C29 | H17 | 162.2° | 117.6° |
| C12 | C13 | O5 | N1 | 176.5° | 180.0° |
| C12 | C13 | N1 | C14 | 164.6° | 129.6° |
| C12 | C13 | N1 | H6 | 15.4° | 50.5° |
| C13 | C12 | C11 | H22 | 6.3° | 8.8° |
| C6 | C28 | C27 | C29 | 116.9° | 117.0° |
| C6 | C28 | C27 | H34 | 118.1° | 120.6° |
| C6 | C28 | C29 | C3 | 40.7° | 7.0° |
| C6 | C28 | C29 | H34 | 119.0° | 121.0° |
| C28 | C6 | C4 | H9 | 105.7° | 105.1° |
| C6 | C28 | C27 | H15 | 130.3° | 141.0° |
| C6 | C28 | C27 | H14 | 108.7° | 96.9° |
| C6 | C28 | C29 | H16 | 78.1° | 112.6° |
| C6 | C28 | C29 | H17 | 159.4° | 126.6° |
| C28 | C6 | C7 | H36 | 77.7° | 117.4° |
| O5 | C13 | N1 | C14 | 18.7° | 50.4° |
| O5 | C13 | N1 | H6 | 161.3° | 129.5° |
| O5 | C13 | C12 | H23 | 172.8° | 175.3° |
| C13 | N1 | C14 | H6 | 180.0° | 180.0° |
| N1 | C13 | C12 | H23 | 3.9° | 4.7° |
| C13 | N1 | C14 | H25 | 161.3° | 7.6° |
| C13 | N1 | C14 | H24 | 41.2° | 128.7° |
| N1 | C14 | H25 | H24 | 120.2° | 121.1° |
| N1 | C14 | C15 | H27 | 169.0° | 76.9° |
| N1 | C14 | C15 | H26 | 50.2° | 42.8° |
| C27 | C28 | C29 | C3 | 156.7° | 109.9° |
| C27 | C28 | C29 | H34 | 125.0° | 122.1° |
| C28 | C27 | C8 | H1 | 77.1° | 95.2° |
| C27 | C28 | C6 | H5 | 101.1° | 133.9° |
| C28 | C27 | H15 | H14 | 121.5° | 122.1° |
| C27 | C28 | C29 | H16 | 38.0° | 130.5° |
| C27 | C28 | C29 | H17 | 84.5° | 9.7° |
| C2 | C3 | C29 | H35 | 122.1° | 120.7° |
| C3 | C2 | C1 | H7 | 120.5° | 120.0° |
| C3 | C2 | C1 | H8 | 120.5° | 120.0° |
| C2 | C3 | C29 | C28 | 168.3° | 121.7° |
| C3 | C2 | H7 | H8 | 118.4° | 119.9° |
| C2 | C3 | C4 | H9 | 44.2° | 10.4° |
| C2 | C3 | C29 | H16 | 49.5° | 118.8° |
| C2 | C3 | C29 | H17 | 73.0° | 2.1° |
| C3 | C2 | C1 | H20 | 180.0° | 60.0° |
| C3 | C2 | C1 | H18 | 60.0° | 60.0° |
| C3 | C2 | C1 | H19 | 60.0° | 180.0° |
| C29 | C3 | C2 | C1 | 75.2° | 66.5° |
| C3 | C29 | C28 | H16 | 118.8° | 119.6° |
| C3 | C29 | C28 | H17 | 118.8° | 119.6° |
| C29 | C3 | C2 | H7 | 45.3° | 173.5° |
| C29 | C3 | C2 | H8 | 164.3° | 53.5° |
| C29 | C3 | C4 | H9 | 81.4° | 109.3° |
| C3 | C29 | H16 | H17 | 123.6° | 120.9° |
| C3 | C29 | C28 | H34 | 78.3° | 128.0° |
| C1 | C2 | H7 | H8 | 118.3° | 120.0° |
| C2 | C1 | H20 | H18 | 120.0° | 120.0° |
| C2 | C1 | H20 | H19 | 120.0° | 119.9° |
| C2 | C1 | H18 | H19 | 120.0° | 120.0° |
| C1 | C2 | C3 | H35 | 46.7° | 54.2° |
| C29 | C28 | C6 | H5 | 136.4° | 107.6° |
| C29 | C28 | C27 | H15 | 112.8° | 101.9° |
| C29 | C28 | C27 | H14 | 8.2° | 20.1° |
| C28 | C29 | H16 | H17 | 123.6° | 120.9° |
| C28 | C29 | C3 | H35 | 69.6° | 117.6° |
| H1 | C8 | C27 | H15 | 42.4° | 23.8° |
| H1 | C8 | C27 | H14 | 163.4° | 145.8° |
| H1 | C8 | C7 | H36 | 176.9° | 138.9° |
| H1 | C8 | C9 | H37 | 166.2° | 133.3° |
| H3 | C5 | H4 | H2 | 120.0° | 120.0° |
| H3 | C5 | C4 | H9 | 62.9° | 179.1° |
| H4 | C5 | C4 | H9 | 57.1° | 59.1° |
| H2 | C5 | C4 | H9 | 177.1° | 60.9° |
| H5 | C6 | C4 | H9 | 138.0° | 134.0° |
| H5 | C6 | C28 | H34 | 17.3° | 13.5° |
| H5 | C6 | C7 | H36 | 164.5° | 121.7° |
| H6 | N1 | C14 | H25 | 18.7° | 172.3° |
| H6 | N1 | C14 | H24 | 138.8° | 51.3° |
| H7 | C2 | C1 | H20 | 59.4° | 60.0° |
| H7 | C2 | C1 | H18 | 179.5° | 180.0° |
| H7 | C2 | C1 | H19 | 60.6° | 60.0° |
| H7 | C2 | C3 | H35 | 167.2° | 65.8° |
| H8 | C2 | C1 | H20 | 59.5° | 180.0° |
| H8 | C2 | C1 | H18 | 60.5° | 60.0° |
| H8 | C2 | C1 | H19 | 179.5° | 60.0° |
| H8 | C2 | C3 | H35 | 73.8° | 174.2° |
| H9 | C4 | C3 | H35 | 165.4° | 131.1° |
| H10 | C23 | C24 | H12 | 172.6° | 137.1° |
| H10 | C23 | C22 | H32 | 171.7° | 177.7° |
| H12 | C24 | C25 | H13 | 172.0° | 177.0° |
| H13 | C25 | C26 | H33 | 143.8° | 146.2° |
| H15 | C27 | C28 | H34 | 12.1° | 20.5° |
| H14 | C27 | C28 | H34 | 133.2° | 142.5° |
| H16 | C29 | C28 | H34 | 163.0° | 8.5° |
| H16 | C29 | C3 | H35 | 171.7° | 2.0° |
| H17 | C29 | C28 | H34 | 40.5° | 112.4° |
| H17 | C29 | C3 | H35 | 49.2° | 122.8° |
| H20 | C1 | H18 | H19 | 120.0° | 120.1° |
| H21 | C10 | C11 | H22 | 172.1° | 125.8° |
| H21 | C10 | C9 | H37 | 163.3° | 178.6° |
| H22 | C11 | C12 | H23 | 173.7° | 171.0° |
| H25 | C14 | C15 | H27 | 71.1° | 163.7° |
| H25 | C14 | C15 | H26 | 170.1° | 76.6° |
| H24 | C14 | C15 | H27 | 49.0° | 42.6° |
| H24 | C14 | C15 | H26 | 69.8° | 162.3° |
| H27 | C15 | C16 | H29 | 127.1° | 177.0° |
| H27 | C15 | C16 | H28 | 8.9° | 56.8° |
| H26 | C15 | C16 | H29 | 114.1° | 63.3° |
| H26 | C15 | C16 | H28 | 127.8° | 176.5° |
| H29 | C16 | C17 | H30 | 71.4° | 179.2° |
| H28 | C16 | C17 | H30 | 46.7° | 59.1° |
| H30 | C17 | N2 | H38 | 67.0° | 56.6° |
| H33 | C26 | C7 | H36 | 170.4° | 137.0° |
| H33 | C26 | O3 | H40 | 64.8° | 60.0° |
