A1JCD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.53Å | 1.50Å | |
| C16 | N4 | sing | 1.47Å | 1.47Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| N4 | C22 | sing | 1.47Å | 1.47Å | |
| N4 | C15 | sing | 1.37Å | 1.35Å | |
| C18 | C21 | sing | 1.53Å | 1.54Å | |
| C18 | C20 | sing | 1.53Å | 1.54Å | |
| N2 | C15 | sing | 1.38Å | 1.27Å | |
| N2 | C14 | sing | 1.40Å | 1.40Å | |
| C22 | C21 | sing | 1.53Å | 1.51Å | |
| C15 | N3 | doub | 1.30Å | 1.32Å | |
| C13 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| F1 | C12 | sing | 1.35Å | 1.35Å | |
| C14 | C23 | sing | 1.39Å | 1.37Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| C23 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.48Å | 1.45Å | |
| C9 | C8 | doub | 1.36Å | 1.34Å | Aromatic |
| C9 | O3 | sing | 1.35Å | 1.37Å | Aromatic |
| C8 | C7 | sing | 1.47Å | 1.43Å | Aromatic |
| O3 | C24 | sing | 1.34Å | 1.37Å | Aromatic |
| C27 | C3 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.56Å | |
| C7 | C24 | doub | 1.37Å | 1.35Å | Aromatic |
| C7 | C6 | sing | 1.47Å | 1.46Å | |
| C26 | N1 | sing | 1.47Å | 1.47Å | |
| C24 | C25 | sing | 1.51Å | 1.48Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| N1 | C6 | sing | 1.35Å | 1.34Å | |
| N1 | C5 | sing | 1.47Å | 1.48Å | |
| C6 | O2 | doub | 1.22Å | 1.23Å | |
| C2 | O1 | sing | 1.43Å | 1.51Å | |
| O1 | C1 | sing | 1.43Å | 1.38Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C1 | H23 | sing | 1.09Å | 1.10Å | |
| C1 | H24 | sing | 1.09Å | 1.10Å | |
| C11 | H25 | sing | 1.08Å | 1.08Å | |
| N2 | H26 | sing | 0.97Å | 1.00Å | |
| N3 | H27 | sing | 0.97Å | 1.00Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | C17 | 110.4° | 109.5° |
| C19 | C18 | C21 | 108.4° | 109.4° |
| C19 | C18 | C20 | 110.5° | 109.5° |
| C18 | C19 | H28 | 109.5° | 109.5° |
| C18 | C19 | H29 | 109.5° | 109.5° |
| C18 | C19 | H30 | 109.5° | 109.4° |
| C17 | C16 | N4 | 109.5° | 108.8° |
| C16 | C17 | C18 | 110.5° | 109.3° |
| C17 | C16 | H10 | 109.5° | 109.6° |
| C17 | C16 | H11 | 109.5° | 109.6° |
| C16 | C17 | H12 | 109.2° | 109.5° |
| C16 | C17 | H13 | 109.2° | 109.5° |
| C16 | N4 | C22 | 115.4° | 118.8° |
| C16 | N4 | C15 | 122.3° | 120.6° |
| N4 | C16 | H10 | 109.4° | 109.6° |
| N4 | C16 | H11 | 109.4° | 109.6° |
| C17 | C18 | C21 | 112.1° | 109.5° |
| C17 | C18 | C20 | 107.1° | 109.4° |
| C18 | C17 | H12 | 109.2° | 109.5° |
| C18 | C17 | H13 | 109.2° | 109.5° |
| C22 | N4 | C15 | 121.8° | 120.6° |
| N4 | C22 | C21 | 115.0° | 108.8° |
| N4 | C22 | H34 | 108.0° | 109.6° |
| N4 | C22 | H35 | 108.0° | 109.6° |
| N4 | C15 | N2 | 119.2° | 120.0° |
| N4 | C15 | N3 | 118.5° | 120.0° |
| C21 | C18 | C20 | 108.3° | 109.4° |
| C18 | C21 | C22 | 116.6° | 109.3° |
| C18 | C21 | H14 | 107.7° | 109.5° |
| C18 | C21 | H15 | 107.6° | 109.5° |
| C18 | C20 | H31 | 109.5° | 109.5° |
| C18 | C20 | H32 | 109.5° | 109.5° |
| C18 | C20 | H33 | 109.5° | 109.5° |
| C15 | N2 | C14 | 128.8° | 120.1° |
| N2 | C15 | N3 | 121.6° | 120.0° |
| C15 | N2 | H26 | 115.6° | 120.0° |
| N2 | C14 | C13 | 116.4° | 120.0° |
| N2 | C14 | C23 | 123.6° | 120.0° |
| C14 | N2 | H26 | 115.6° | 120.0° |
| C22 | C21 | H14 | 107.7° | 109.5° |
| C22 | C21 | H15 | 107.7° | 109.5° |
| C21 | C22 | H34 | 108.1° | 109.5° |
| C21 | C22 | H35 | 108.1° | 109.6° |
| C15 | N3 | H27 | 112.0° | 120.0° |
| C14 | C13 | C12 | 119.0° | 120.2° |
| C13 | C14 | C23 | 120.0° | 120.0° |
| C14 | C13 | H9 | 120.5° | 119.9° |
| C13 | C12 | F1 | 117.4° | 119.9° |
| C13 | C12 | C11 | 122.5° | 120.2° |
| C12 | C13 | H9 | 120.5° | 119.9° |
| F1 | C12 | C11 | 120.1° | 119.9° |
| C14 | C23 | C10 | 120.6° | 119.8° |
| C14 | C23 | H16 | 119.7° | 120.1° |
| C12 | C11 | C10 | 118.4° | 119.9° |
| C12 | C11 | H25 | 120.8° | 120.1° |
| C23 | C10 | C11 | 119.6° | 119.8° |
| C23 | C10 | C9 | 118.8° | 120.1° |
| C10 | C23 | H16 | 119.7° | 120.1° |
| C11 | C10 | C9 | 121.5° | 120.1° |
| C10 | C11 | H25 | 120.8° | 120.0° |
| C10 | C9 | C8 | 134.4° | 125.6° |
| C10 | C9 | O3 | 116.5° | 125.6° |
| C8 | C9 | O3 | 109.0° | 108.9° |
| C9 | C8 | C7 | 107.4° | 105.8° |
| C9 | C8 | H8 | 126.3° | 127.1° |
| C9 | O3 | C24 | 107.8° | 110.9° |
| C8 | C7 | C24 | 106.4° | 105.8° |
| C8 | C7 | C6 | 126.5° | 127.1° |
| C7 | C8 | H8 | 126.3° | 127.1° |
| O3 | C24 | C7 | 109.3° | 108.7° |
| O3 | C24 | C25 | 115.6° | 125.7° |
| C3 | C27 | C26 | 110.6° | 109.3° |
| C27 | C3 | C4 | 105.6° | 109.4° |
| C27 | C3 | C2 | 107.5° | 109.3° |
| C27 | C3 | H3 | 108.7° | 109.7° |
| C3 | C27 | H36 | 109.2° | 109.5° |
| C3 | C27 | H37 | 109.2° | 109.5° |
| C27 | C26 | N1 | 112.1° | 108.8° |
| C27 | C26 | H20 | 108.8° | 109.6° |
| C27 | C26 | H21 | 108.8° | 109.7° |
| C26 | C27 | H36 | 109.2° | 109.4° |
| C26 | C27 | H37 | 109.2° | 109.7° |
| C4 | C3 | C2 | 117.9° | 109.5° |
| C3 | C4 | C5 | 109.9° | 109.3° |
| C4 | C3 | H3 | 108.7° | 109.5° |
| C3 | C4 | H4 | 109.3° | 109.6° |
| C3 | C4 | H5 | 109.4° | 109.5° |
| C3 | C2 | O1 | 131.9° | 109.5° |
| C3 | C2 | H1 | 103.6° | 109.4° |
| C3 | C2 | H2 | 103.6° | 109.5° |
| C2 | C3 | H3 | 108.3° | 109.5° |
| C24 | C7 | C6 | 126.9° | 127.1° |
| C7 | C24 | C25 | 135.1° | 125.7° |
| C7 | C6 | N1 | 123.7° | 120.1° |
| C7 | C6 | O2 | 117.4° | 120.0° |
| C26 | N1 | C6 | 123.2° | 120.6° |
| C26 | N1 | C5 | 117.7° | 118.7° |
| N1 | C26 | H20 | 108.8° | 109.6° |
| N1 | C26 | H21 | 108.8° | 109.6° |
| C24 | C25 | H17 | 109.5° | 109.4° |
| C24 | C25 | H18 | 109.5° | 109.5° |
| C24 | C25 | H19 | 109.5° | 109.5° |
| C4 | C5 | N1 | 113.2° | 108.8° |
| C5 | C4 | H4 | 109.4° | 109.4° |
| C5 | C4 | H5 | 109.4° | 109.4° |
| C4 | C5 | H6 | 108.5° | 109.6° |
| C4 | C5 | H7 | 108.5° | 109.6° |
| C6 | N1 | C5 | 118.9° | 120.7° |
| N1 | C6 | O2 | 118.8° | 119.9° |
| N1 | C5 | H6 | 108.6° | 109.6° |
| N1 | C5 | H7 | 108.6° | 109.5° |
| C2 | O1 | C1 | 110.0° | 114.0° |
| O1 | C2 | H1 | 103.6° | 109.5° |
| O1 | C2 | H2 | 103.6° | 109.5° |
| O1 | C1 | H22 | 109.5° | 109.5° |
| O1 | C1 | H23 | 109.4° | 109.5° |
| O1 | C1 | H24 | 109.5° | 109.4° |
| H1 | C2 | H2 | 109.5° | 109.4° |
| H4 | C4 | H5 | 109.5° | 109.6° |
| H6 | C5 | H7 | 109.4° | 109.7° |
| H10 | C16 | H11 | 109.5° | 109.7° |
| H12 | C17 | H13 | 109.5° | 109.6° |
| H14 | C21 | H15 | 109.5° | 109.5° |
| H17 | C25 | H18 | 109.4° | 109.4° |
| H17 | C25 | H19 | 109.5° | 109.5° |
| H18 | C25 | H19 | 109.5° | 109.5° |
| H20 | C26 | H21 | 109.4° | 109.6° |
| H22 | C1 | H23 | 109.5° | 109.5° |
| H22 | C1 | H24 | 109.4° | 109.4° |
| H23 | C1 | H24 | 109.5° | 109.5° |
| H28 | C19 | H29 | 109.5° | 109.5° |
| H28 | C19 | H30 | 109.5° | 109.5° |
| H29 | C19 | H30 | 109.5° | 109.5° |
| H31 | C20 | H32 | 109.5° | 109.4° |
| H31 | C20 | H33 | 109.5° | 109.5° |
| H32 | C20 | H33 | 109.4° | 109.5° |
| H34 | C22 | H35 | 109.5° | 109.7° |
| H36 | C27 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | C17 | C16 | 69.6° | 58.6° |
| C19 | C18 | C17 | C21 | 120.9° | 120.0° |
| C19 | C18 | C17 | C20 | 120.4° | 120.0° |
| C19 | C18 | C21 | C20 | 119.9° | 120.0° |
| C19 | C18 | C21 | C22 | 85.5° | 58.6° |
| C19 | C18 | C17 | H12 | 170.3° | 178.6° |
| C19 | C18 | C17 | H13 | 50.6° | 61.3° |
| C19 | C18 | C21 | H14 | 153.5° | 178.6° |
| C19 | C18 | C21 | H15 | 35.5° | 61.3° |
| C18 | C19 | H28 | H29 | 120.0° | 120.0° |
| C18 | C19 | H28 | H30 | 120.0° | 119.9° |
| C18 | C19 | H29 | H30 | 120.0° | 119.9° |
| C19 | C18 | C20 | H31 | 180.0° | 60.0° |
| C19 | C18 | C20 | H32 | 60.0° | 60.0° |
| C19 | C18 | C20 | H33 | 60.0° | 180.0° |
| C17 | C16 | N4 | H10 | 120.0° | 119.8° |
| C17 | C16 | N4 | H11 | 120.0° | 119.8° |
| C16 | C17 | C18 | H12 | 120.2° | 120.0° |
| C16 | C17 | C18 | H13 | 120.1° | 119.9° |
| C17 | C16 | N4 | C22 | 58.5° | 53.6° |
| C17 | C16 | N4 | C15 | 129.3° | 126.3° |
| C16 | C17 | C18 | C21 | 51.4° | 61.4° |
| C16 | C17 | C18 | C20 | 170.1° | 178.6° |
| C17 | C16 | H10 | H11 | 120.0° | 120.3° |
| C16 | C17 | H12 | H13 | 119.5° | 120.1° |
| N4 | C16 | C17 | C18 | 62.0° | 54.7° |
| C16 | N4 | C22 | C15 | 172.2° | 180.0° |
| C16 | N4 | C15 | N2 | 17.2° | 175.3° |
| C16 | N4 | C22 | C21 | 43.2° | 53.6° |
| C16 | N4 | C15 | N3 | 152.9° | 4.6° |
| N4 | C16 | H10 | H11 | 120.0° | 120.3° |
| N4 | C16 | C17 | H12 | 58.1° | 65.3° |
| N4 | C16 | C17 | H13 | 177.8° | 174.5° |
| C16 | N4 | C22 | H34 | 77.7° | 173.3° |
| C16 | N4 | C22 | H35 | 164.0° | 66.2° |
| C17 | C18 | C21 | C20 | 118.0° | 120.0° |
| C17 | C18 | C21 | C22 | 36.6° | 61.4° |
| C18 | C17 | C16 | H10 | 58.0° | 65.2° |
| C18 | C17 | C16 | H11 | 178.0° | 174.5° |
| C18 | C17 | H12 | H13 | 119.5° | 120.1° |
| C17 | C18 | C21 | H14 | 84.4° | 58.5° |
| C17 | C18 | C21 | H15 | 157.6° | 178.7° |
| C17 | C18 | C19 | H28 | 180.0° | 59.9° |
| C17 | C18 | C19 | H29 | 60.0° | 180.0° |
| C17 | C18 | C19 | H30 | 60.0° | 60.1° |
| C17 | C18 | C20 | H31 | 59.7° | 60.1° |
| C17 | C18 | C20 | H32 | 60.3° | 180.0° |
| C17 | C18 | C20 | H33 | 179.7° | 60.0° |
| N4 | C22 | C21 | C18 | 31.9° | 54.7° |
| C22 | N4 | C15 | N2 | 171.1° | 4.7° |
| N4 | C22 | C21 | H34 | 120.8° | 119.7° |
| N4 | C22 | C21 | H35 | 120.8° | 119.8° |
| C22 | N4 | C15 | N3 | 18.7° | 175.4° |
| C22 | N4 | C16 | H10 | 61.5° | 66.2° |
| C22 | N4 | C16 | H11 | 178.5° | 173.4° |
| N4 | C22 | C21 | H14 | 89.1° | 65.3° |
| N4 | C22 | C21 | H15 | 152.9° | 174.6° |
| N4 | C22 | H34 | H35 | 117.4° | 120.4° |
| N4 | C15 | N2 | N3 | 169.8° | 179.9° |
| N4 | C15 | N2 | C14 | 64.3° | 173.7° |
| C15 | N4 | C22 | C21 | 144.6° | 126.3° |
| C15 | N4 | C16 | H10 | 110.7° | 113.8° |
| C15 | N4 | C16 | H11 | 9.3° | 6.5° |
| N4 | C15 | N2 | H26 | 115.7° | 6.2° |
| N4 | C15 | N3 | H27 | 169.9° | 169.0° |
| C15 | N4 | C22 | H34 | 94.5° | 6.6° |
| C15 | N4 | C22 | H35 | 23.8° | 113.9° |
| C18 | C21 | C22 | H14 | 121.0° | 120.0° |
| C18 | C21 | C22 | H15 | 121.0° | 119.9° |
| C21 | C18 | C17 | H12 | 68.8° | 58.5° |
| C21 | C18 | C17 | H13 | 171.5° | 178.7° |
| C18 | C21 | H14 | H15 | 116.8° | 120.1° |
| C21 | C18 | C19 | H28 | 56.9° | 60.1° |
| C21 | C18 | C19 | H29 | 176.9° | 60.0° |
| C21 | C18 | C19 | H30 | 63.1° | 179.9° |
| C21 | C18 | C20 | H31 | 61.5° | 179.9° |
| C21 | C18 | C20 | H32 | 178.5° | 60.0° |
| C21 | C18 | C20 | H33 | 58.6° | 60.0° |
| C18 | C21 | C22 | H34 | 88.9° | 174.4° |
| C18 | C21 | C22 | H35 | 152.7° | 65.1° |
| C20 | C18 | C21 | C22 | 154.6° | 178.6° |
| C20 | C18 | C17 | H12 | 49.9° | 61.4° |
| C20 | C18 | C17 | H13 | 69.8° | 58.7° |
| C20 | C18 | C21 | H14 | 33.6° | 61.4° |
| C20 | C18 | C21 | H15 | 84.4° | 58.7° |
| C20 | C18 | C19 | H28 | 61.7° | 179.9° |
| C20 | C18 | C19 | H29 | 58.3° | 60.0° |
| C20 | C18 | C19 | H30 | 178.3° | 59.9° |
| C18 | C20 | H31 | H32 | 120.0° | 120.0° |
| C18 | C20 | H31 | H33 | 120.0° | 120.0° |
| C18 | C20 | H32 | H33 | 120.0° | 120.0° |
| C15 | N2 | C14 | H26 | 180.0° | 179.9° |
| C15 | N2 | C14 | C13 | 178.8° | 46.1° |
| C15 | N2 | C14 | C23 | 2.9° | 133.8° |
| N2 | C15 | N3 | H27 | 0.0° | 10.9° |
| C14 | N2 | C15 | N3 | 125.9° | 6.3° |
| N2 | C14 | C13 | C23 | 178.4° | 179.9° |
| N2 | C14 | C13 | C12 | 179.1° | 180.0° |
| N2 | C14 | C23 | C10 | 179.3° | 180.0° |
| N2 | C14 | C13 | H9 | 0.9° | 0.1° |
| N2 | C14 | C23 | H16 | 0.7° | 0.1° |
| C22 | C21 | H14 | H15 | 116.8° | 120.1° |
| C21 | C22 | H34 | H35 | 117.5° | 120.4° |
| N3 | C15 | N2 | H26 | 54.1° | 173.8° |
| C14 | C13 | C12 | H9 | 180.0° | 180.0° |
| C14 | C13 | C12 | F1 | 178.7° | 179.7° |
| C14 | C13 | C12 | C11 | 0.8° | 0.0° |
| C13 | C14 | C23 | C10 | 1.0° | 0.1° |
| C13 | C14 | C23 | H16 | 179.0° | 180.0° |
| C13 | C14 | N2 | H26 | 1.2° | 133.8° |
| C13 | C12 | F1 | C11 | 177.9° | 179.7° |
| C12 | C13 | C14 | C23 | 0.7° | 0.0° |
| C13 | C12 | C11 | C10 | 2.0° | 0.0° |
| C13 | C12 | C11 | H25 | 178.0° | 180.0° |
| F1 | C12 | C11 | C10 | 179.8° | 179.7° |
| F1 | C12 | C13 | H9 | 1.3° | 0.3° |
| F1 | C12 | C11 | H25 | 0.2° | 0.3° |
| C14 | C23 | C10 | H16 | 180.0° | 179.9° |
| C14 | C23 | C10 | C11 | 0.1° | 0.1° |
| C14 | C23 | C10 | C9 | 177.2° | 180.0° |
| C23 | C14 | C13 | H9 | 179.3° | 180.0° |
| C23 | C14 | N2 | H26 | 177.1° | 46.2° |
| C12 | C11 | C10 | C23 | 1.6° | 0.0° |
| C12 | C11 | C10 | H25 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 178.6° | 180.0° |
| C11 | C12 | C13 | H9 | 179.2° | 180.0° |
| C23 | C10 | C11 | C9 | 177.0° | 180.0° |
| C23 | C10 | C9 | C8 | 0.8° | 180.0° |
| C23 | C10 | C9 | O3 | 175.9° | 0.0° |
| C23 | C10 | C11 | H25 | 178.4° | 180.0° |
| C11 | C10 | C9 | C8 | 176.2° | 0.0° |
| C11 | C10 | C9 | O3 | 1.1° | 180.0° |
| C11 | C10 | C23 | H16 | 179.8° | 180.0° |
| C10 | C9 | C8 | O3 | 175.4° | 180.0° |
| C10 | C9 | C8 | C7 | 175.6° | 180.0° |
| C10 | C9 | O3 | C24 | 178.2° | 180.0° |
| C10 | C9 | C8 | H8 | 4.4° | 0.1° |
| C9 | C10 | C23 | H16 | 2.7° | 0.0° |
| C9 | C10 | C11 | H25 | 1.4° | 0.0° |
| C9 | C8 | C7 | H8 | 180.0° | 180.0° |
| C8 | C9 | O3 | C24 | 1.9° | 0.0° |
| C9 | C8 | C7 | C24 | 1.5° | 0.0° |
| C9 | C8 | C7 | C6 | 176.5° | 179.7° |
| O3 | C9 | C8 | C7 | 0.3° | 0.0° |
| C9 | O3 | C24 | C7 | 2.8° | 0.0° |
| C9 | O3 | C24 | C25 | 178.3° | 179.7° |
| O3 | C9 | C8 | H8 | 179.7° | 179.9° |
| C8 | C7 | C24 | O3 | 2.6° | 0.0° |
| C8 | C7 | C24 | C6 | 175.0° | 179.7° |
| C8 | C7 | C24 | C25 | 178.8° | 179.8° |
| C8 | C7 | C6 | N1 | 109.4° | 31.9° |
| C8 | C7 | C6 | O2 | 65.9° | 148.1° |
| O3 | C24 | C7 | C25 | 178.6° | 179.8° |
| O3 | C24 | C7 | C6 | 177.6° | 179.7° |
| O3 | C24 | C25 | H17 | 0.0° | 90.3° |
| O3 | C24 | C25 | H18 | 120.0° | 29.7° |
| O3 | C24 | C25 | H19 | 120.0° | 149.8° |
| C3 | C27 | C26 | H36 | 120.2° | 119.8° |
| C3 | C27 | C26 | H37 | 120.2° | 120.0° |
| C27 | C3 | C4 | C2 | 120.0° | 119.7° |
| C27 | C3 | C4 | H3 | 116.4° | 120.2° |
| C27 | C3 | C2 | H3 | 117.2° | 120.1° |
| C3 | C27 | C26 | N1 | 53.4° | 54.6° |
| C27 | C3 | C4 | C5 | 63.8° | 61.7° |
| C27 | C3 | C2 | O1 | 132.7° | 65.2° |
| C27 | C3 | C2 | H1 | 9.8° | 174.8° |
| C27 | C3 | C2 | H2 | 104.5° | 54.9° |
| C27 | C3 | C4 | H4 | 176.1° | 58.3° |
| C27 | C3 | C4 | H5 | 56.2° | 178.5° |
| C3 | C27 | C26 | H20 | 173.9° | 174.4° |
| C3 | C27 | C26 | H21 | 67.0° | 65.3° |
| C3 | C27 | H36 | H37 | 119.4° | 120.0° |
| C26 | C27 | C3 | C4 | 65.0° | 61.6° |
| C26 | C27 | C3 | C2 | 61.6° | 178.6° |
| C27 | C26 | N1 | H20 | 120.4° | 119.8° |
| C27 | C26 | N1 | H21 | 120.4° | 119.9° |
| C27 | C26 | N1 | C6 | 145.0° | 126.4° |
| C27 | C26 | N1 | C5 | 41.0° | 53.4° |
| C26 | C27 | C3 | H3 | 178.5° | 58.6° |
| C27 | C26 | H20 | H21 | 118.8° | 120.4° |
| C26 | C27 | H36 | H37 | 119.5° | 120.3° |
| C4 | C3 | C2 | H3 | 123.8° | 120.1° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H5 | 120.1° | 119.9° |
| C3 | C4 | C5 | N1 | 52.4° | 54.8° |
| C4 | C3 | C2 | O1 | 13.7° | 175.0° |
| C4 | C3 | C2 | H1 | 109.2° | 55.0° |
| C4 | C3 | C2 | H2 | 136.5° | 64.9° |
| C3 | C4 | H4 | H5 | 119.8° | 120.2° |
| C3 | C4 | C5 | H6 | 68.2° | 65.0° |
| C3 | C4 | C5 | H7 | 172.9° | 174.5° |
| C4 | C3 | C27 | H36 | 55.2° | 178.6° |
| C4 | C3 | C27 | H37 | 174.8° | 58.6° |
| C2 | C3 | C4 | C5 | 56.2° | 178.6° |
| C3 | C2 | O1 | H1 | 122.9° | 120.0° |
| C3 | C2 | O1 | H2 | 122.9° | 120.0° |
| C3 | C2 | O1 | C1 | 163.0° | 180.0° |
| C3 | C2 | H1 | H2 | 110.0° | 120.0° |
| C2 | C3 | C4 | H4 | 63.9° | 61.5° |
| C2 | C3 | C4 | H5 | 176.2° | 58.7° |
| C2 | C3 | C27 | H36 | 178.2° | 58.8° |
| C2 | C3 | C27 | H37 | 58.6° | 61.3° |
| C24 | C7 | C6 | N1 | 76.6° | 147.7° |
| C24 | C7 | C6 | O2 | 108.1° | 32.2° |
| C24 | C7 | C8 | H8 | 178.5° | 180.0° |
| C7 | C24 | C25 | H17 | 178.5° | 90.0° |
| C7 | C24 | C25 | H18 | 58.5° | 150.0° |
| C7 | C24 | C25 | H19 | 61.5° | 30.0° |
| C7 | C6 | N1 | C26 | 27.1° | 5.5° |
| C6 | C7 | C24 | C25 | 3.8° | 0.0° |
| C7 | C6 | N1 | O2 | 175.2° | 179.9° |
| C7 | C6 | N1 | C5 | 159.0° | 174.8° |
| C6 | C7 | C8 | H8 | 3.5° | 0.3° |
| C26 | N1 | C5 | C4 | 40.8° | 53.4° |
| C26 | N1 | C6 | C5 | 173.9° | 179.8° |
| C26 | N1 | C6 | O2 | 157.7° | 174.5° |
| C26 | N1 | C5 | H6 | 79.7° | 66.4° |
| C26 | N1 | C5 | H7 | 161.4° | 173.2° |
| N1 | C26 | H20 | H21 | 118.8° | 120.3° |
| N1 | C26 | C27 | H36 | 66.7° | 174.5° |
| N1 | C26 | C27 | H37 | 173.6° | 65.4° |
| C24 | C25 | H17 | H18 | 120.0° | 120.0° |
| C24 | C25 | H17 | H19 | 120.0° | 120.0° |
| C24 | C25 | H18 | H19 | 120.0° | 120.0° |
| C4 | C5 | N1 | C6 | 144.9° | 126.4° |
| C4 | C5 | N1 | H6 | 120.6° | 119.8° |
| C4 | C5 | N1 | H7 | 120.6° | 119.8° |
| C5 | C4 | C3 | H3 | 179.8° | 58.6° |
| C5 | C4 | H4 | H5 | 119.8° | 120.0° |
| C4 | C5 | H6 | H7 | 118.3° | 120.4° |
| C6 | N1 | C5 | H6 | 94.5° | 113.8° |
| C6 | N1 | C5 | H7 | 24.4° | 6.6° |
| C6 | N1 | C26 | H20 | 24.6° | 6.6° |
| C6 | N1 | C26 | H21 | 94.5° | 113.7° |
| C5 | N1 | C6 | O2 | 16.2° | 5.3° |
| N1 | C5 | C4 | H4 | 172.4° | 65.2° |
| N1 | C5 | C4 | H5 | 67.7° | 174.7° |
| N1 | C5 | H6 | H7 | 118.3° | 120.3° |
| C5 | N1 | C26 | H20 | 161.4° | 173.1° |
| C5 | N1 | C26 | H21 | 79.4° | 66.5° |
| O1 | C2 | H1 | H2 | 110.0° | 120.0° |
| O1 | C2 | C3 | H3 | 110.1° | 55.0° |
| C2 | O1 | C1 | H22 | 180.0° | 60.1° |
| C2 | O1 | C1 | H23 | 60.0° | 60.0° |
| C2 | O1 | C1 | H24 | 60.0° | 180.0° |
| C1 | O1 | C2 | H1 | 74.1° | 60.0° |
| C1 | O1 | C2 | H2 | 40.2° | 60.0° |
| O1 | C1 | H22 | H23 | 120.0° | 120.1° |
| O1 | C1 | H22 | H24 | 120.0° | 119.9° |
| O1 | C1 | H23 | H24 | 120.0° | 120.0° |
| H1 | C2 | C3 | H3 | 127.0° | 65.0° |
| H2 | C2 | C3 | H3 | 12.7° | 175.0° |
| H3 | C3 | C4 | H4 | 59.7° | 178.5° |
| H3 | C3 | C4 | H5 | 60.2° | 61.3° |
| H3 | C3 | C27 | H36 | 61.3° | 61.2° |
| H3 | C3 | C27 | H37 | 58.4° | 178.7° |
| H4 | C4 | C5 | H6 | 51.8° | 175.0° |
| H4 | C4 | C5 | H7 | 67.0° | 54.5° |
| H5 | C4 | C5 | H6 | 171.7° | 54.9° |
| H5 | C4 | C5 | H7 | 52.9° | 65.6° |
| H10 | C16 | C17 | H12 | 178.1° | 174.9° |
| H10 | C16 | C17 | H13 | 62.2° | 54.7° |
| H11 | C16 | C17 | H12 | 61.8° | 54.5° |
| H11 | C16 | C17 | H13 | 57.8° | 65.7° |
| H14 | C21 | C22 | H34 | 150.1° | 54.4° |
| H14 | C21 | C22 | H35 | 31.7° | 174.9° |
| H15 | C21 | C22 | H34 | 32.1° | 65.7° |
| H15 | C21 | C22 | H35 | 86.3° | 54.8° |
| H17 | C25 | H18 | H19 | 120.0° | 120.0° |
| H20 | C26 | C27 | H36 | 53.7° | 65.8° |
| H20 | C26 | C27 | H37 | 66.0° | 54.4° |
| H21 | C26 | C27 | H36 | 172.8° | 54.6° |
| H21 | C26 | C27 | H37 | 53.2° | 174.7° |
| H22 | C1 | H23 | H24 | 120.0° | 120.0° |
| H28 | C19 | H29 | H30 | 120.0° | 120.1° |
| H31 | C20 | H32 | H33 | 120.0° | 120.0° |
