5ED
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C16 | doub | 1.22Å | 1.22Å | |
| C16 | O2 | sing | 1.35Å | 1.44Å | |
| C16 | C15 | sing | 1.47Å | 1.52Å | |
| O2 | C18 | sing | 1.45Å | 1.41Å | |
| C15 | C14 | doub | 1.33Å | 1.55Å | |
| C14 | C10 | sing | 1.51Å | 1.55Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C10 | N | sing | 1.47Å | 1.47Å | |
| O1 | C13 | doub | 1.21Å | 1.22Å | |
| C13 | C12 | sing | 1.51Å | 1.50Å | |
| C13 | N1 | sing | 1.34Å | 1.32Å | |
| N | C17 | sing | 1.35Å | 1.34Å | |
| C12 | C26 | sing | 1.55Å | 1.53Å | |
| C26 | C25 | sing | 1.55Å | 1.52Å | |
| N1 | C25 | sing | 1.47Å | 1.44Å | |
| O4 | C17 | doub | 1.21Å | 1.23Å | |
| C17 | C2 | sing | 1.51Å | 1.48Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C2 | N2 | sing | 1.47Å | 1.45Å | |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| O21 | C20 | doub | 1.21Å | 1.25Å | |
| N2 | C20 | sing | 1.35Å | 1.34Å | |
| C9 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C22 | sing | 1.50Å | 1.50Å | |
| C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | O5 | doub | 1.21Å | 1.23Å | |
| C22 | N6 | sing | 1.35Å | 1.33Å | |
| C21 | N6 | sing | 1.47Å | 1.44Å | |
| C21 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | C1 | sing | 1.53Å | 1.54Å | |
| C27 | C1 | sing | 1.53Å | 1.53Å | |
| C27 | C24 | sing | 1.53Å | 1.52Å | |
| C1 | C24 | sing | 1.53Å | 1.53Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.08Å | 1.08Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| N | H32 | sing | 0.97Å | 1.00Å | |
| N2 | H33 | sing | 0.97Å | 1.00Å | |
| N6 | H34 | sing | 0.97Å | 1.00Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C16 | O2 | 117.7° | 120.0° |
| O3 | C16 | C15 | 124.3° | 120.0° |
| O2 | C16 | C15 | 118.0° | 120.0° |
| C16 | O2 | C18 | 118.9° | 117.0° |
| C16 | C15 | C14 | 117.2° | 120.0° |
| C16 | C15 | H7 | 121.4° | 120.0° |
| O2 | C18 | C19 | 106.5° | 109.5° |
| O2 | C18 | H23 | 110.2° | 109.5° |
| O2 | C18 | H24 | 110.2° | 109.5° |
| C15 | C14 | C10 | 109.2° | 120.0° |
| C14 | C15 | H7 | 121.4° | 120.1° |
| C15 | C14 | H21 | 125.4° | 120.0° |
| C14 | C10 | C11 | 111.3° | 109.5° |
| C14 | C10 | N | 110.6° | 109.4° |
| C14 | C10 | H6 | 106.9° | 109.5° |
| C10 | C14 | H21 | 125.4° | 120.0° |
| C19 | C18 | H23 | 110.2° | 109.5° |
| C19 | C18 | H24 | 110.2° | 109.5° |
| C18 | C19 | H29 | 109.5° | 109.5° |
| C18 | C19 | H30 | 109.5° | 109.5° |
| C18 | C19 | H31 | 109.5° | 109.5° |
| C10 | C11 | C12 | 112.2° | 109.5° |
| C11 | C10 | N | 112.9° | 109.4° |
| C11 | C10 | H6 | 107.0° | 109.5° |
| C10 | C11 | H18 | 108.8° | 109.5° |
| C10 | C11 | H19 | 108.7° | 109.5° |
| C11 | C12 | C13 | 114.0° | 110.5° |
| C11 | C12 | C26 | 112.6° | 110.5° |
| C12 | C11 | H18 | 108.8° | 109.5° |
| C12 | C11 | H19 | 108.8° | 109.4° |
| C11 | C12 | H20 | 108.8° | 110.4° |
| C10 | N | C17 | 122.2° | 120.0° |
| N | C10 | H6 | 107.9° | 109.5° |
| C10 | N | H32 | 118.9° | 120.0° |
| O1 | C13 | C12 | 125.6° | 124.9° |
| O1 | C13 | N1 | 124.9° | 124.9° |
| C12 | C13 | N1 | 109.5° | 110.1° |
| C13 | C12 | C26 | 103.2° | 104.2° |
| C13 | C12 | H20 | 109.1° | 110.5° |
| C13 | N1 | C25 | 114.5° | 111.3° |
| C13 | N1 | H1 | 122.8° | 124.3° |
| N | C17 | O4 | 125.8° | 120.0° |
| N | C17 | C2 | 116.3° | 120.0° |
| C17 | N | H32 | 118.9° | 120.0° |
| C12 | C26 | C25 | 105.1° | 101.8° |
| C12 | C26 | H11 | 110.6° | 111.0° |
| C12 | C26 | H12 | 110.6° | 111.0° |
| C26 | C12 | H20 | 108.8° | 110.6° |
| C26 | C25 | N1 | 103.6° | 105.5° |
| C25 | C26 | H11 | 110.6° | 110.9° |
| C25 | C26 | H12 | 110.6° | 111.0° |
| C26 | C25 | H27 | 110.9° | 110.0° |
| C26 | C25 | H28 | 110.9° | 110.5° |
| C25 | N1 | H1 | 122.8° | 124.4° |
| N1 | C25 | H27 | 110.9° | 110.3° |
| N1 | C25 | H28 | 110.9° | 110.3° |
| O4 | C17 | C2 | 117.9° | 120.0° |
| C17 | C2 | C3 | 105.9° | 109.5° |
| C17 | C2 | N2 | 114.3° | 109.5° |
| C17 | C2 | H14 | 108.9° | 109.5° |
| C2 | C3 | C4 | 114.4° | 109.4° |
| C3 | C2 | N2 | 109.8° | 109.4° |
| C3 | C2 | H14 | 108.4° | 109.5° |
| C2 | C3 | H15 | 108.2° | 109.4° |
| C2 | C3 | H16 | 108.2° | 109.5° |
| C3 | C4 | C5 | 121.9° | 120.0° |
| C3 | C4 | C9 | 118.0° | 120.0° |
| C4 | C3 | H15 | 108.3° | 109.5° |
| C4 | C3 | H16 | 108.2° | 109.5° |
| C2 | N2 | C20 | 128.2° | 120.0° |
| N2 | C2 | H14 | 109.3° | 109.5° |
| C2 | N2 | H33 | 115.9° | 120.0° |
| C5 | C4 | C9 | 120.1° | 120.0° |
| C4 | C5 | C6 | 118.9° | 120.0° |
| C4 | C5 | H2 | 120.5° | 120.0° |
| C4 | C9 | C8 | 120.5° | 120.0° |
| C4 | C9 | H17 | 119.7° | 120.0° |
| C5 | C6 | C7 | 121.1° | 120.0° |
| C6 | C5 | H2 | 120.5° | 120.0° |
| C5 | C6 | H3 | 119.5° | 120.0° |
| O21 | C20 | N2 | 123.1° | 120.0° |
| O21 | C20 | C22 | 128.1° | 120.0° |
| N2 | C20 | C22 | 108.8° | 120.0° |
| C20 | N2 | H33 | 115.9° | 120.0° |
| C9 | C8 | C7 | 119.7° | 120.0° |
| C9 | C8 | H5 | 120.2° | 120.0° |
| C8 | C9 | H17 | 119.7° | 120.0° |
| C20 | C22 | O5 | 116.0° | 120.0° |
| C20 | C22 | N6 | 132.6° | 119.9° |
| C6 | C7 | C8 | 119.6° | 120.0° |
| C7 | C6 | H3 | 119.4° | 120.0° |
| C6 | C7 | H4 | 120.2° | 120.0° |
| C8 | C7 | H4 | 120.2° | 120.0° |
| C7 | C8 | H5 | 120.1° | 120.0° |
| O5 | C22 | N6 | 111.4° | 120.0° |
| C22 | N6 | C21 | 129.4° | 120.0° |
| C22 | N6 | H34 | 115.3° | 120.0° |
| N6 | C21 | C23 | 109.3° | 109.5° |
| C21 | N6 | H34 | 115.3° | 120.0° |
| N6 | C21 | H35 | 109.5° | 109.5° |
| N6 | C21 | H36 | 109.5° | 109.4° |
| C21 | C23 | C1 | 112.6° | 109.5° |
| C21 | C23 | H25 | 108.7° | 109.5° |
| C21 | C23 | H26 | 108.7° | 109.5° |
| C23 | C21 | H35 | 109.5° | 109.5° |
| C23 | C21 | H36 | 109.5° | 109.5° |
| C23 | C1 | C27 | 118.3° | 117.5° |
| C23 | C1 | C24 | 114.2° | 117.5° |
| C23 | C1 | H13 | 117.3° | 115.6° |
| C1 | C23 | H25 | 108.7° | 109.5° |
| C1 | C23 | H26 | 108.7° | 109.5° |
| C1 | C27 | C24 | 60.2° | 60.0° |
| C27 | C1 | C24 | 59.6° | 60.0° |
| C27 | C1 | H13 | 117.3° | 117.5° |
| C1 | C27 | H37 | 120.0° | 117.5° |
| C1 | C27 | H38 | 120.0° | 117.6° |
| C27 | C24 | C1 | 60.1° | 60.0° |
| C27 | C24 | H9 | 120.0° | 117.6° |
| C27 | C24 | H10 | 120.0° | 117.5° |
| C24 | C27 | H37 | 119.9° | 117.5° |
| C24 | C27 | H38 | 120.0° | 117.5° |
| C1 | C24 | H9 | 120.0° | 117.5° |
| C1 | C24 | H10 | 120.0° | 117.5° |
| C24 | C1 | H13 | 117.3° | 117.5° |
| H9 | C24 | H10 | 109.5° | 115.6° |
| H11 | C26 | H12 | 109.5° | 110.9° |
| H15 | C3 | H16 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.5° |
| H25 | C23 | H26 | 109.5° | 109.4° |
| H27 | C25 | H28 | 109.5° | 110.3° |
| H29 | C19 | H30 | 109.5° | 109.5° |
| H29 | C19 | H31 | 109.4° | 109.5° |
| H30 | C19 | H31 | 109.5° | 109.4° |
| H35 | C21 | H36 | 109.5° | 109.5° |
| H37 | C27 | H38 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C16 | O2 | C15 | 179.3° | 179.9° |
| O3 | C16 | O2 | C18 | 58.1° | 0.0° |
| O3 | C16 | C15 | C14 | 22.7° | 6.6° |
| O3 | C16 | C15 | H7 | 157.3° | 173.4° |
| O2 | C16 | C15 | C14 | 158.1° | 173.4° |
| C16 | O2 | C18 | C19 | 77.9° | 180.0° |
| O2 | C16 | C15 | H7 | 21.9° | 6.5° |
| C16 | O2 | C18 | H23 | 41.7° | 60.0° |
| C16 | O2 | C18 | H24 | 162.6° | 60.0° |
| C15 | C16 | O2 | C18 | 122.7° | 180.0° |
| C16 | C15 | C14 | H7 | 180.0° | 179.9° |
| C16 | C15 | C14 | C10 | 77.6° | 22.0° |
| C16 | C15 | C14 | H21 | 102.4° | 158.0° |
| O2 | C18 | C19 | H23 | 119.5° | 120.0° |
| O2 | C18 | C19 | H24 | 119.6° | 120.0° |
| O2 | C18 | H23 | H24 | 121.4° | 120.0° |
| O2 | C18 | C19 | H29 | 180.0° | 60.0° |
| O2 | C18 | C19 | H30 | 60.0° | 179.9° |
| O2 | C18 | C19 | H31 | 60.0° | 60.0° |
| C15 | C14 | C10 | H21 | 180.0° | 180.0° |
| C15 | C14 | C10 | C11 | 157.1° | 129.1° |
| C15 | C14 | C10 | N | 76.5° | 110.9° |
| C15 | C14 | C10 | H6 | 40.7° | 9.1° |
| C14 | C10 | C11 | N | 125.1° | 119.9° |
| C14 | C10 | C11 | H6 | 116.4° | 120.0° |
| C14 | C10 | C11 | C12 | 177.0° | 65.9° |
| C14 | C10 | N | H6 | 116.6° | 120.0° |
| C14 | C10 | N | C17 | 111.7° | 158.6° |
| C10 | C14 | C15 | H7 | 102.4° | 157.9° |
| C14 | C10 | C11 | H18 | 62.6° | 174.1° |
| C14 | C10 | C11 | H19 | 56.6° | 54.1° |
| C14 | C10 | N | H32 | 68.3° | 21.4° |
| C19 | C18 | H23 | H24 | 121.4° | 120.0° |
| C18 | C19 | H29 | H30 | 120.0° | 120.0° |
| C18 | C19 | H29 | H31 | 120.0° | 120.0° |
| C18 | C19 | H30 | H31 | 120.0° | 120.0° |
| C10 | C11 | C12 | H18 | 120.4° | 120.0° |
| C10 | C11 | C12 | H19 | 120.4° | 120.0° |
| C11 | C10 | N | H6 | 118.0° | 120.0° |
| C10 | C11 | C12 | C13 | 173.1° | 73.7° |
| C11 | C10 | N | C17 | 122.9° | 81.4° |
| C10 | C11 | C12 | C26 | 55.9° | 171.6° |
| C10 | C11 | H18 | H19 | 118.7° | 120.0° |
| C10 | C11 | C12 | H20 | 64.8° | 48.8° |
| C11 | C10 | C14 | H21 | 22.9° | 50.8° |
| C11 | C10 | N | H32 | 57.2° | 98.6° |
| C12 | C11 | C10 | N | 57.9° | 174.1° |
| C11 | C12 | C13 | O1 | 45.2° | 77.5° |
| C11 | C12 | C13 | C26 | 122.5° | 118.7° |
| C11 | C12 | C13 | H20 | 121.9° | 122.5° |
| C11 | C12 | C13 | N1 | 135.8° | 102.4° |
| C11 | C12 | C26 | H20 | 120.8° | 122.6° |
| C11 | C12 | C26 | C25 | 142.9° | 93.9° |
| C12 | C11 | C10 | H6 | 60.6° | 54.1° |
| C11 | C12 | C26 | H11 | 23.6° | 24.2° |
| C11 | C12 | C26 | H12 | 97.8° | 148.0° |
| C12 | C11 | H18 | H19 | 118.8° | 120.0° |
| C10 | N | C17 | H32 | 180.0° | 180.0° |
| C10 | N | C17 | O4 | 1.2° | 5.0° |
| C10 | N | C17 | C2 | 179.5° | 175.0° |
| N | C10 | C11 | H18 | 62.5° | 54.1° |
| N | C10 | C11 | H19 | 178.3° | 65.9° |
| N | C10 | C14 | H21 | 103.5° | 69.1° |
| O1 | C13 | C12 | N1 | 178.9° | 180.0° |
| O1 | C13 | C12 | C26 | 167.7° | 163.8° |
| O1 | C13 | N1 | C25 | 179.9° | 179.5° |
| O1 | C13 | N1 | H1 | 0.2° | 0.7° |
| O1 | C13 | C12 | H20 | 76.6° | 45.0° |
| C13 | C12 | C26 | H20 | 115.8° | 118.7° |
| C13 | C12 | C26 | C25 | 19.5° | 24.8° |
| C12 | C13 | N1 | C25 | 1.2° | 0.4° |
| C12 | C13 | N1 | H1 | 178.8° | 179.3° |
| C13 | C12 | C26 | H11 | 99.7° | 142.9° |
| C13 | C12 | C26 | H12 | 138.9° | 93.3° |
| C13 | C12 | C11 | H18 | 66.5° | 46.3° |
| C13 | C12 | C11 | H19 | 52.7° | 166.3° |
| N1 | C13 | C12 | C26 | 13.3° | 16.2° |
| C13 | N1 | C25 | C26 | 11.6° | 17.0° |
| C13 | N1 | C25 | H1 | 180.0° | 179.8° |
| N1 | C13 | C12 | H20 | 102.3° | 135.1° |
| C13 | N1 | C25 | H27 | 130.6° | 135.7° |
| C13 | N1 | C25 | H28 | 107.5° | 102.3° |
| N | C17 | O4 | C2 | 179.2° | 180.0° |
| N | C17 | C2 | C3 | 116.3° | 60.0° |
| N | C17 | C2 | N2 | 122.7° | 180.0° |
| C17 | N | C10 | H6 | 4.9° | 38.6° |
| N | C17 | C2 | H14 | 0.1° | 60.0° |
| C12 | C26 | C25 | H11 | 119.3° | 118.1° |
| C12 | C26 | C25 | H12 | 119.3° | 118.2° |
| C12 | C26 | C25 | N1 | 19.0° | 25.4° |
| C12 | C26 | H11 | H12 | 122.0° | 123.9° |
| C26 | C12 | C11 | H18 | 176.4° | 68.5° |
| C26 | C12 | C11 | H19 | 64.4° | 51.5° |
| C12 | C26 | C25 | H27 | 138.0° | 144.3° |
| C12 | C26 | C25 | H28 | 100.1° | 93.7° |
| C26 | C25 | N1 | H27 | 119.0° | 118.7° |
| C26 | C25 | N1 | H28 | 119.1° | 119.3° |
| C26 | C25 | N1 | H1 | 168.4° | 162.7° |
| C25 | C26 | H11 | H12 | 122.0° | 123.8° |
| C25 | C26 | C12 | H20 | 96.3° | 143.5° |
| C26 | C25 | H27 | H28 | 122.7° | 122.1° |
| N1 | C25 | C26 | H11 | 100.3° | 143.5° |
| N1 | C25 | C26 | H12 | 138.3° | 92.7° |
| N1 | C25 | H27 | H28 | 122.7° | 122.0° |
| O4 | C17 | C2 | C3 | 64.4° | 119.9° |
| O4 | C17 | C2 | N2 | 56.7° | 0.0° |
| O4 | C17 | C2 | H14 | 179.2° | 120.0° |
| O4 | C17 | N | H32 | 178.8° | 174.9° |
| C17 | C2 | C3 | N2 | 123.8° | 120.0° |
| C17 | C2 | C3 | H14 | 116.8° | 120.0° |
| C17 | C2 | C3 | C4 | 167.4° | 175.0° |
| C17 | C2 | N2 | H14 | 122.4° | 120.0° |
| C17 | C2 | N2 | C20 | 53.3° | 155.0° |
| C17 | C2 | C3 | H15 | 71.9° | 55.0° |
| C17 | C2 | C3 | H16 | 46.7° | 65.0° |
| C2 | C17 | N | H32 | 0.4° | 5.0° |
| C17 | C2 | N2 | H33 | 126.7° | 25.0° |
| C2 | C3 | C4 | H15 | 120.7° | 119.9° |
| C2 | C3 | C4 | H16 | 120.7° | 120.0° |
| C3 | C2 | N2 | H14 | 118.8° | 120.0° |
| C2 | C3 | C4 | C5 | 44.3° | 90.1° |
| C2 | C3 | C4 | C9 | 137.2° | 89.7° |
| C3 | C2 | N2 | C20 | 172.1° | 85.1° |
| C2 | C3 | H15 | H16 | 117.8° | 120.0° |
| C3 | C2 | N2 | H33 | 7.9° | 95.0° |
| C4 | C3 | C2 | N2 | 68.8° | 65.1° |
| C3 | C4 | C5 | C9 | 178.4° | 179.8° |
| C3 | C4 | C5 | C6 | 179.1° | 179.8° |
| C3 | C4 | C9 | C8 | 179.0° | 179.8° |
| C3 | C4 | C5 | H2 | 0.9° | 0.2° |
| C4 | C3 | C2 | H14 | 50.6° | 54.9° |
| C4 | C3 | H15 | H16 | 117.8° | 120.1° |
| C3 | C4 | C9 | H17 | 1.0° | 0.3° |
| C2 | N2 | C20 | O21 | 1.6° | 0.1° |
| C2 | N2 | C20 | H33 | 180.0° | 179.9° |
| C2 | N2 | C20 | C22 | 179.9° | 180.0° |
| N2 | C2 | C3 | H15 | 52.0° | 175.0° |
| N2 | C2 | C3 | H16 | 170.5° | 55.0° |
| C4 | C5 | C6 | H2 | 180.0° | 179.9° |
| C5 | C4 | C9 | C8 | 0.5° | 0.0° |
| C4 | C5 | C6 | C7 | 0.1° | 0.0° |
| C4 | C5 | C6 | H3 | 179.9° | 179.9° |
| C5 | C4 | C3 | H15 | 165.1° | 150.0° |
| C5 | C4 | C3 | H16 | 76.4° | 29.9° |
| C5 | C4 | C9 | H17 | 179.5° | 179.9° |
| C9 | C4 | C5 | C6 | 0.7° | 0.0° |
| C4 | C9 | C8 | H17 | 180.0° | 180.0° |
| C4 | C9 | C8 | C7 | 0.2° | 0.0° |
| C9 | C4 | C5 | H2 | 179.3° | 180.0° |
| C4 | C9 | C8 | H5 | 179.8° | 180.0° |
| C9 | C4 | C3 | H15 | 16.5° | 30.2° |
| C9 | C4 | C3 | H16 | 102.1° | 150.3° |
| C5 | C6 | C7 | H3 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.6° | 0.0° |
| C5 | C6 | C7 | H4 | 179.4° | 180.0° |
| O21 | C20 | N2 | C22 | 178.5° | 179.9° |
| O21 | C20 | C22 | O5 | 174.1° | 180.0° |
| O21 | C20 | C22 | N6 | 5.2° | 0.0° |
| O21 | C20 | N2 | H33 | 178.4° | 180.0° |
| N2 | C20 | C22 | O5 | 4.4° | 0.1° |
| N2 | C20 | C22 | N6 | 176.4° | 179.9° |
| C20 | N2 | C2 | H14 | 69.0° | 34.9° |
| C9 | C8 | C7 | C6 | 0.8° | 0.0° |
| C9 | C8 | C7 | H5 | 180.0° | 180.0° |
| C9 | C8 | C7 | H4 | 179.2° | 179.9° |
| C20 | C22 | O5 | N6 | 179.4° | 180.0° |
| C20 | C22 | N6 | C21 | 2.4° | 180.0° |
| C22 | C20 | N2 | H33 | 0.1° | 0.1° |
| C20 | C22 | N6 | H34 | 177.5° | 0.0° |
| C6 | C7 | C8 | H4 | 180.0° | 180.0° |
| C7 | C6 | C5 | H2 | 179.9° | 180.0° |
| C6 | C7 | C8 | H5 | 179.2° | 180.0° |
| C8 | C7 | C6 | H3 | 179.3° | 179.9° |
| C7 | C8 | C9 | H17 | 179.7° | 180.0° |
| O5 | C22 | N6 | C21 | 178.3° | 0.0° |
| O5 | C22 | N6 | H34 | 1.7° | 180.0° |
| C22 | N6 | C21 | H34 | 180.0° | 180.0° |
| C22 | N6 | C21 | C23 | 147.5° | 180.0° |
| C22 | N6 | C21 | H35 | 27.6° | 60.0° |
| C22 | N6 | C21 | H36 | 92.5° | 60.0° |
| N6 | C21 | C23 | H35 | 120.0° | 120.0° |
| N6 | C21 | C23 | H36 | 120.0° | 119.9° |
| N6 | C21 | C23 | C1 | 58.8° | 180.0° |
| N6 | C21 | C23 | H25 | 179.3° | 59.9° |
| N6 | C21 | C23 | H26 | 61.7° | 60.0° |
| N6 | C21 | H35 | H36 | 120.1° | 120.0° |
| C21 | C23 | C1 | H25 | 120.5° | 120.0° |
| C21 | C23 | C1 | H26 | 120.5° | 120.0° |
| C21 | C23 | C1 | C27 | 76.4° | 116.4° |
| C21 | C23 | C1 | C24 | 143.6° | 175.0° |
| C21 | C23 | C1 | H13 | 73.5° | 29.4° |
| C21 | C23 | H25 | H26 | 118.5° | 119.9° |
| C23 | C21 | N6 | H34 | 32.5° | 0.0° |
| C23 | C21 | H35 | H36 | 120.1° | 120.0° |
| C23 | C1 | C27 | C24 | 102.9° | 107.5° |
| C23 | C1 | C27 | H13 | 149.8° | 145.1° |
| C23 | C1 | C24 | H13 | 142.9° | 145.0° |
| C23 | C1 | C24 | H9 | 140.6° | 0.0° |
| C23 | C1 | C24 | H10 | 0.3° | 145.0° |
| C1 | C23 | H25 | H26 | 118.6° | 120.0° |
| C1 | C23 | C21 | H35 | 61.1° | 60.0° |
| C1 | C23 | C21 | H36 | 178.8° | 60.0° |
| C23 | C1 | C27 | H37 | 147.5° | 0.0° |
| C23 | C1 | C27 | H38 | 6.6° | 145.0° |
| C1 | C27 | C24 | H37 | 109.5° | 107.5° |
| C1 | C27 | C24 | H38 | 109.5° | 107.5° |
| C27 | C1 | C24 | H13 | 107.2° | 107.4° |
| C1 | C27 | C24 | H9 | 109.5° | 107.5° |
| C1 | C27 | C24 | H10 | 109.5° | 107.4° |
| C27 | C1 | C23 | H25 | 44.1° | 123.6° |
| C27 | C1 | C23 | H26 | 163.2° | 3.7° |
| C1 | C27 | H37 | H38 | 144.6° | 145.7° |
| C27 | C24 | H9 | H10 | 144.6° | 145.7° |
| C24 | C27 | H37 | H38 | 144.6° | 145.6° |
| C1 | C24 | H9 | H10 | 144.7° | 145.6° |
| C24 | C1 | C23 | H25 | 23.1° | 55.0° |
| C24 | C1 | C23 | H26 | 96.0° | 65.0° |
| H1 | N1 | C25 | H27 | 49.4° | 44.0° |
| H1 | N1 | C25 | H28 | 72.5° | 78.0° |
| H2 | C5 | C6 | H3 | 0.1° | 0.0° |
| H3 | C6 | C7 | H4 | 0.7° | 0.0° |
| H4 | C7 | C8 | H5 | 0.8° | 0.1° |
| H5 | C8 | C9 | H17 | 0.3° | 0.0° |
| H6 | C10 | C11 | H18 | 179.0° | 65.9° |
| H6 | C10 | C11 | H19 | 59.8° | 174.1° |
| H6 | C10 | C14 | H21 | 139.3° | 170.9° |
| H6 | C10 | N | H32 | 175.1° | 141.4° |
| H7 | C15 | C14 | H21 | 77.6° | 22.1° |
| H9 | C24 | C1 | H13 | 2.3° | 145.0° |
| H9 | C24 | C27 | H37 | 0.0° | 0.0° |
| H9 | C24 | C27 | H38 | 140.9° | 145.0° |
| H10 | C24 | C1 | H13 | 143.3° | 0.0° |
| H10 | C24 | C27 | H37 | 140.9° | 145.1° |
| H10 | C24 | C27 | H38 | 0.0° | 0.1° |
| H11 | C26 | C12 | H20 | 144.4° | 98.4° |
| H11 | C26 | C25 | H27 | 18.7° | 97.6° |
| H11 | C26 | C25 | H28 | 140.6° | 24.4° |
| H12 | C26 | C12 | H20 | 23.0° | 25.4° |
| H12 | C26 | C25 | H27 | 102.7° | 26.2° |
| H12 | C26 | C25 | H28 | 19.2° | 148.1° |
| H13 | C1 | C23 | H25 | 166.0° | 90.6° |
| H13 | C1 | C23 | H26 | 47.0° | 149.4° |
| H13 | C1 | C27 | H37 | 2.3° | 145.1° |
| H13 | C1 | C27 | H38 | 143.2° | 0.0° |
| H14 | C2 | C3 | H15 | 171.4° | 65.0° |
| H14 | C2 | C3 | H16 | 70.1° | 175.0° |
| H14 | C2 | N2 | H33 | 110.9° | 145.0° |
| H18 | C11 | C12 | H20 | 55.6° | 168.8° |
| H19 | C11 | C12 | H20 | 174.8° | 71.2° |
| H23 | C18 | C19 | H29 | 60.5° | 60.0° |
| H23 | C18 | C19 | H30 | 179.5° | 60.0° |
| H23 | C18 | C19 | H31 | 59.5° | 180.0° |
| H24 | C18 | C19 | H29 | 60.5° | 180.0° |
| H24 | C18 | C19 | H30 | 59.5° | 60.0° |
| H24 | C18 | C19 | H31 | 179.6° | 60.0° |
| H25 | C23 | C21 | H35 | 59.4° | 180.0° |
| H25 | C23 | C21 | H36 | 60.7° | 60.0° |
| H26 | C23 | C21 | H35 | 178.4° | 60.1° |
| H26 | C23 | C21 | H36 | 58.3° | 179.9° |
| H29 | C19 | H30 | H31 | 120.0° | 120.0° |
| H34 | N6 | C21 | H35 | 152.4° | 120.0° |
| H34 | N6 | C21 | H36 | 87.5° | 120.0° |
