A1DA4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | N4 | sing | 1.47Å | 1.52Å | |
| N2 | C13 | doub | 1.32Å | 1.35Å | Aromatic |
| N2 | C12 | sing | 1.32Å | 1.35Å | Aromatic |
| C13 | C4 | sing | 1.40Å | 1.42Å | Aromatic |
| N4 | C18 | sing | 1.47Å | 1.52Å | |
| N4 | C20 | sing | 1.47Å | 1.52Å | |
| O | C22 | sing | 1.35Å | 1.36Å | |
| O | C23 | sing | 1.45Å | 1.44Å | |
| N6 | C22 | sing | 1.35Å | 1.37Å | |
| N6 | C21 | sing | 1.39Å | 1.41Å | |
| C25 | N7 | sing | 1.47Å | 1.52Å | |
| C24 | C23 | sing | 1.53Å | 1.55Å | |
| C24 | N7 | sing | 1.47Å | 1.52Å | |
| C22 | O1 | doub | 1.22Å | 1.22Å | |
| C21 | N5 | doub | 1.33Å | 1.34Å | Aromatic |
| C21 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| N5 | C16 | sing | 1.32Å | 1.34Å | Aromatic |
| C17 | N3 | sing | 1.47Å | 1.46Å | |
| C27 | C14 | doub | 1.40Å | 1.41Å | Aromatic |
| N7 | C26 | sing | 1.47Å | 1.51Å | |
| C12 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C16 | N3 | sing | 1.38Å | 1.40Å | |
| C16 | C15 | doub | 1.41Å | 1.42Å | Aromatic |
| C14 | C15 | sing | 1.42Å | 1.41Å | Aromatic |
| C14 | C3 | sing | 1.41Å | 1.42Å | Aromatic |
| C4 | C3 | sing | 1.48Å | 1.49Å | |
| C4 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C15 | C | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C | C1 | doub | 1.36Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | N | sing | 1.40Å | 1.40Å | |
| N | C11 | sing | 1.47Å | 1.47Å | |
| N | C7 | sing | 1.47Å | 1.48Å | |
| C11 | C10 | sing | 1.53Å | 1.55Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C10 | N1 | sing | 1.47Å | 1.53Å | |
| C8 | N1 | sing | 1.47Å | 1.53Å | |
| N1 | C9 | sing | 1.47Å | 1.53Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C1 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| C | H10 | sing | 1.08Å | 1.08Å | |
| N6 | H12 | sing | 0.97Å | 1.00Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.08Å | 1.08Å | |
| C13 | H22 | sing | 1.08Å | 1.08Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H39 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H41 | sing | 1.09Å | 1.10Å | |
| C26 | H42 | sing | 1.09Å | 1.10Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | H43 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | N4 | C18 | 108.4° | 111.0° |
| C19 | N4 | C20 | 107.6° | 111.0° |
| N4 | C19 | H28 | 109.5° | 109.5° |
| N4 | C19 | H29 | 109.5° | 109.4° |
| N4 | C19 | H27 | 109.5° | 109.5° |
| C13 | N2 | C12 | 117.9° | 122.0° |
| N2 | C13 | C4 | 123.6° | 120.7° |
| N2 | C13 | H22 | 118.2° | 119.7° |
| N2 | C12 | C6 | 123.4° | 120.9° |
| N2 | C12 | H21 | 118.3° | 119.6° |
| C13 | C4 | C3 | 122.1° | 120.5° |
| C13 | C4 | C5 | 117.5° | 119.0° |
| C4 | C13 | H22 | 118.2° | 119.6° |
| C18 | N4 | C20 | 108.1° | 111.0° |
| N4 | C18 | C17 | 113.0° | 109.5° |
| N4 | C18 | H26 | 108.6° | 109.5° |
| N4 | C18 | H25 | 108.6° | 109.5° |
| N4 | C20 | H30 | 109.5° | 109.4° |
| N4 | C20 | H31 | 109.4° | 109.4° |
| N4 | C20 | H32 | 109.5° | 109.4° |
| C22 | O | C23 | 120.0° | 117.0° |
| O | C22 | N6 | 108.7° | 120.1° |
| O | C22 | O1 | 125.4° | 120.0° |
| O | C23 | C24 | 106.0° | 109.5° |
| O | C23 | H34 | 110.3° | 109.4° |
| O | C23 | H33 | 110.3° | 109.5° |
| C22 | N6 | C21 | 129.7° | 120.0° |
| N6 | C22 | O1 | 125.9° | 120.0° |
| C22 | N6 | H12 | 115.2° | 120.0° |
| N6 | C21 | N5 | 113.5° | 119.2° |
| N6 | C21 | C27 | 123.9° | 119.2° |
| C21 | N6 | H12 | 115.1° | 120.0° |
| C25 | N7 | C24 | 110.8° | 111.0° |
| C25 | N7 | C26 | 108.5° | 111.0° |
| N7 | C25 | H39 | 109.5° | 109.4° |
| N7 | C25 | H37 | 109.5° | 109.5° |
| N7 | C25 | H38 | 109.5° | 109.4° |
| C23 | C24 | N7 | 116.6° | 109.5° |
| C24 | C23 | H34 | 110.3° | 109.5° |
| C24 | C23 | H33 | 110.3° | 109.5° |
| C23 | C24 | H35 | 107.6° | 109.5° |
| C23 | C24 | H36 | 107.7° | 109.4° |
| C24 | N7 | C26 | 109.2° | 111.0° |
| N7 | C24 | H35 | 107.7° | 109.5° |
| N7 | C24 | H36 | 107.6° | 109.5° |
| N5 | C21 | C27 | 122.6° | 121.6° |
| C21 | N5 | C16 | 119.2° | 122.5° |
| C21 | C27 | C14 | 119.3° | 118.8° |
| C21 | C27 | H43 | 120.3° | 120.6° |
| C18 | C17 | N3 | 110.1° | 109.5° |
| C18 | C17 | H24 | 109.3° | 109.5° |
| C18 | C17 | H23 | 109.3° | 109.5° |
| C17 | C18 | H26 | 108.6° | 109.5° |
| C17 | C18 | H25 | 108.6° | 109.5° |
| N5 | C16 | N3 | 115.1° | 120.0° |
| N5 | C16 | C15 | 122.7° | 120.0° |
| C17 | N3 | C16 | 123.1° | 120.0° |
| C17 | N3 | H2 | 105.9° | 120.0° |
| N3 | C17 | H24 | 109.3° | 109.4° |
| N3 | C17 | H23 | 109.3° | 109.4° |
| C27 | C14 | C15 | 118.2° | 118.4° |
| C27 | C14 | C3 | 121.3° | 122.0° |
| C14 | C27 | H43 | 120.4° | 120.6° |
| N7 | C26 | H41 | 109.5° | 109.4° |
| N7 | C26 | H42 | 109.5° | 109.5° |
| N7 | C26 | H40 | 109.5° | 109.5° |
| C12 | C6 | C5 | 117.9° | 119.2° |
| C12 | C6 | N | 120.8° | 120.4° |
| C6 | C12 | H21 | 118.3° | 119.5° |
| N3 | C16 | C15 | 122.2° | 120.0° |
| C16 | N3 | H2 | 106.0° | 120.0° |
| C16 | C15 | C14 | 118.0° | 118.7° |
| C16 | C15 | C | 122.4° | 121.8° |
| C15 | C14 | C3 | 120.5° | 119.5° |
| C14 | C15 | C | 119.5° | 119.5° |
| C14 | C3 | C4 | 121.5° | 120.5° |
| C14 | C3 | C2 | 118.7° | 119.1° |
| C3 | C4 | C5 | 120.4° | 120.5° |
| C4 | C3 | C2 | 119.7° | 120.4° |
| C4 | C5 | C6 | 119.7° | 118.2° |
| C4 | C5 | H3 | 120.1° | 120.9° |
| C15 | C | C1 | 120.1° | 120.0° |
| C15 | C | H10 | 119.9° | 120.0° |
| C3 | C2 | C1 | 120.9° | 120.7° |
| C3 | C2 | H9 | 119.5° | 119.6° |
| C | C1 | C2 | 120.3° | 121.2° |
| C | C1 | H8 | 119.9° | 119.3° |
| C1 | C | H10 | 120.0° | 120.0° |
| C2 | C1 | H8 | 119.8° | 119.5° |
| C1 | C2 | H9 | 119.5° | 119.7° |
| C5 | C6 | N | 121.2° | 120.5° |
| C6 | C5 | H3 | 120.1° | 120.9° |
| C6 | N | C11 | 119.2° | 111.0° |
| C6 | N | C7 | 122.0° | 111.0° |
| C11 | N | C7 | 113.5° | 110.9° |
| N | C11 | C10 | 108.2° | 109.4° |
| N | C11 | H20 | 109.8° | 109.5° |
| N | C11 | H19 | 109.8° | 109.5° |
| N | C7 | C8 | 109.7° | 109.3° |
| N | C7 | H4 | 109.4° | 109.5° |
| N | C7 | H5 | 109.4° | 109.5° |
| C11 | C10 | N1 | 114.4° | 109.4° |
| C11 | C10 | H18 | 108.2° | 109.5° |
| C11 | C10 | H17 | 108.2° | 109.5° |
| C10 | C11 | H20 | 109.8° | 109.5° |
| C10 | C11 | H19 | 109.8° | 109.5° |
| C7 | C8 | N1 | 115.7° | 109.4° |
| C8 | C7 | H4 | 109.4° | 109.5° |
| C8 | C7 | H5 | 109.4° | 109.5° |
| C7 | C8 | H6 | 107.9° | 109.4° |
| C7 | C8 | H7 | 107.9° | 109.5° |
| C10 | N1 | C8 | 111.0° | 110.9° |
| C10 | N1 | C9 | 108.6° | 111.0° |
| N1 | C10 | H18 | 108.2° | 109.5° |
| N1 | C10 | H17 | 108.2° | 109.5° |
| C8 | N1 | C9 | 108.8° | 111.0° |
| N1 | C8 | H6 | 107.9° | 109.5° |
| N1 | C8 | H7 | 107.9° | 109.5° |
| N1 | C9 | H15 | 109.5° | 109.5° |
| N1 | C9 | H16 | 109.5° | 109.5° |
| N1 | C9 | H14 | 109.5° | 109.5° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H15 | C9 | H16 | 109.5° | 109.4° |
| H15 | C9 | H14 | 109.5° | 109.5° |
| H16 | C9 | H14 | 109.5° | 109.4° |
| H18 | C10 | H17 | 109.5° | 109.5° |
| H20 | C11 | H19 | 109.4° | 109.5° |
| H24 | C17 | H23 | 109.5° | 109.5° |
| H26 | C18 | H25 | 109.5° | 109.5° |
| H28 | C19 | H29 | 109.5° | 109.5° |
| H28 | C19 | H27 | 109.5° | 109.5° |
| H29 | C19 | H27 | 109.4° | 109.4° |
| H30 | C20 | H31 | 109.5° | 109.5° |
| H30 | C20 | H32 | 109.5° | 109.5° |
| H31 | C20 | H32 | 109.5° | 109.5° |
| H34 | C23 | H33 | 109.5° | 109.5° |
| H35 | C24 | H36 | 109.5° | 109.5° |
| H39 | C25 | H37 | 109.5° | 109.5° |
| H39 | C25 | H38 | 109.4° | 109.5° |
| H37 | C25 | H38 | 109.5° | 109.5° |
| H41 | C26 | H42 | 109.5° | 109.5° |
| H41 | C26 | H40 | 109.5° | 109.4° |
| H42 | C26 | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | N4 | C18 | C20 | 116.4° | 124.0° |
| C19 | N4 | C18 | C17 | 167.2° | 170.0° |
| C19 | N4 | C18 | H26 | 46.7° | 70.0° |
| C19 | N4 | C18 | H25 | 72.3° | 50.0° |
| N4 | C19 | H28 | H29 | 120.0° | 120.0° |
| N4 | C19 | H28 | H27 | 120.0° | 120.0° |
| N4 | C19 | H29 | H27 | 120.0° | 120.0° |
| C19 | N4 | C20 | H30 | 180.0° | 176.1° |
| C19 | N4 | C20 | H31 | 60.0° | 56.1° |
| C19 | N4 | C20 | H32 | 60.0° | 63.9° |
| N2 | C13 | C4 | H22 | 180.0° | 179.4° |
| C13 | N2 | C12 | C6 | 0.6° | 0.3° |
| N2 | C13 | C4 | C3 | 176.6° | 179.7° |
| N2 | C13 | C4 | C5 | 0.5° | 0.6° |
| C13 | N2 | C12 | H21 | 179.5° | 180.0° |
| C12 | N2 | C13 | C4 | 0.2° | 0.6° |
| N2 | C12 | C6 | H21 | 180.0° | 179.7° |
| N2 | C12 | C6 | C5 | 0.2° | 0.0° |
| N2 | C12 | C6 | N | 176.1° | 180.0° |
| C12 | N2 | C13 | H22 | 179.8° | 180.0° |
| C13 | C4 | C3 | C14 | 73.3° | 49.7° |
| C13 | C4 | C3 | C5 | 177.0° | 179.7° |
| C13 | C4 | C3 | C2 | 108.0° | 130.3° |
| C13 | C4 | C5 | C6 | 0.8° | 0.2° |
| C13 | C4 | C5 | H3 | 179.1° | 179.7° |
| N4 | C18 | C17 | H26 | 120.5° | 120.0° |
| N4 | C18 | C17 | H25 | 120.5° | 120.0° |
| N4 | C18 | C17 | N3 | 173.9° | 180.0° |
| N4 | C18 | C17 | H24 | 66.0° | 60.0° |
| N4 | C18 | C17 | H23 | 53.8° | 60.0° |
| N4 | C18 | H26 | H25 | 118.4° | 120.0° |
| C18 | N4 | C19 | H28 | 180.0° | 60.0° |
| C18 | N4 | C19 | H29 | 60.0° | 180.0° |
| C18 | N4 | C19 | H27 | 60.0° | 60.0° |
| C18 | N4 | C20 | H30 | 63.1° | 60.0° |
| C18 | N4 | C20 | H31 | 56.9° | 180.0° |
| C18 | N4 | C20 | H32 | 176.9° | 60.0° |
| C20 | N4 | C18 | C17 | 76.4° | 66.0° |
| C20 | N4 | C18 | H26 | 163.1° | 54.0° |
| C20 | N4 | C18 | H25 | 44.1° | 174.0° |
| C20 | N4 | C19 | H28 | 63.3° | 63.9° |
| C20 | N4 | C19 | H29 | 56.8° | 56.1° |
| C20 | N4 | C19 | H27 | 176.7° | 176.0° |
| N4 | C20 | H30 | H31 | 120.0° | 120.0° |
| N4 | C20 | H30 | H32 | 120.0° | 120.0° |
| N4 | C20 | H31 | H32 | 120.0° | 119.9° |
| O | C22 | N6 | O1 | 177.6° | 179.9° |
| O | C22 | N6 | C21 | 166.9° | 175.8° |
| C22 | O | C23 | C24 | 163.5° | 180.0° |
| O | C22 | N6 | H12 | 13.1° | 4.2° |
| C22 | O | C23 | H34 | 77.1° | 60.0° |
| C22 | O | C23 | H33 | 44.0° | 59.9° |
| C23 | O | C22 | N6 | 171.4° | 180.0° |
| O | C23 | C24 | H34 | 119.5° | 120.0° |
| O | C23 | C24 | H33 | 119.4° | 120.0° |
| O | C23 | C24 | N7 | 167.4° | 63.1° |
| C23 | O | C22 | O1 | 6.2° | 0.1° |
| O | C23 | H34 | H33 | 121.6° | 120.0° |
| O | C23 | C24 | H35 | 46.3° | 56.9° |
| O | C23 | C24 | H36 | 71.6° | 176.9° |
| C22 | N6 | C21 | H12 | 180.0° | 180.0° |
| C22 | N6 | C21 | N5 | 150.1° | 4.5° |
| C22 | N6 | C21 | C27 | 28.2° | 174.7° |
| C21 | N6 | C22 | O1 | 10.7° | 4.3° |
| N6 | C21 | N5 | C27 | 178.3° | 179.2° |
| N6 | C21 | N5 | C16 | 178.0° | 180.0° |
| N6 | C21 | C27 | C14 | 178.3° | 179.7° |
| N6 | C21 | C27 | H43 | 1.7° | 0.8° |
| C25 | N7 | C24 | C23 | 61.2° | 64.9° |
| C25 | N7 | C24 | C26 | 119.5° | 123.9° |
| C25 | N7 | C24 | H35 | 177.8° | 175.1° |
| C25 | N7 | C24 | H36 | 59.8° | 55.0° |
| N7 | C25 | H39 | H37 | 120.0° | 120.0° |
| N7 | C25 | H39 | H38 | 120.0° | 119.9° |
| N7 | C25 | H37 | H38 | 120.0° | 120.0° |
| C25 | N7 | C26 | H41 | 180.0° | 171.2° |
| C25 | N7 | C26 | H42 | 60.0° | 51.2° |
| C25 | N7 | C26 | H40 | 60.0° | 68.9° |
| C23 | C24 | N7 | H35 | 121.0° | 120.0° |
| C23 | C24 | N7 | H36 | 121.1° | 120.0° |
| C23 | C24 | N7 | C26 | 58.2° | 171.1° |
| C24 | C23 | H34 | H33 | 121.6° | 120.0° |
| C23 | C24 | H35 | H36 | 116.8° | 120.0° |
| N7 | C24 | C23 | H34 | 73.2° | 56.8° |
| N7 | C24 | C23 | H33 | 47.9° | 176.9° |
| N7 | C24 | H35 | H36 | 116.7° | 120.0° |
| C24 | N7 | C25 | H39 | 180.0° | 180.0° |
| C24 | N7 | C25 | H37 | 60.0° | 60.0° |
| C24 | N7 | C25 | H38 | 60.0° | 60.0° |
| C24 | N7 | C26 | H41 | 59.1° | 64.9° |
| C24 | N7 | C26 | H42 | 179.1° | 175.1° |
| C24 | N7 | C26 | H40 | 60.9° | 55.1° |
| O1 | C22 | N6 | H12 | 169.3° | 175.7° |
| N5 | C21 | C27 | C14 | 0.3° | 0.6° |
| C21 | N5 | C16 | N3 | 180.0° | 179.5° |
| C21 | N5 | C16 | C15 | 0.2° | 0.6° |
| N5 | C21 | N6 | H12 | 29.9° | 175.5° |
| N5 | C21 | C27 | H43 | 179.8° | 180.0° |
| C27 | C21 | N5 | C16 | 0.3° | 0.8° |
| C21 | C27 | C14 | H43 | 180.0° | 179.4° |
| C21 | C27 | C14 | C15 | 0.9° | 0.1° |
| C21 | C27 | C14 | C3 | 179.7° | 179.8° |
| C27 | C21 | N6 | H12 | 151.8° | 5.4° |
| C18 | C17 | N3 | H24 | 120.1° | 120.0° |
| C18 | C17 | N3 | H23 | 120.1° | 120.0° |
| C18 | C17 | N3 | C16 | 163.0° | 180.0° |
| C18 | C17 | N3 | H2 | 41.1° | 0.0° |
| C18 | C17 | H24 | H23 | 119.7° | 120.1° |
| C17 | C18 | H26 | H25 | 118.4° | 120.0° |
| N5 | C16 | N3 | C17 | 3.0° | 0.0° |
| N5 | C16 | N3 | C15 | 179.8° | 179.9° |
| N5 | C16 | C15 | C14 | 0.5° | 0.0° |
| N5 | C16 | C15 | C | 179.6° | 179.7° |
| N5 | C16 | N3 | H2 | 124.9° | 179.9° |
| C17 | N3 | C16 | H2 | 121.9° | 180.0° |
| C17 | N3 | C16 | C15 | 176.8° | 180.0° |
| N3 | C17 | H24 | H23 | 119.7° | 119.9° |
| N3 | C17 | C18 | H26 | 53.4° | 60.0° |
| N3 | C17 | C18 | H25 | 65.5° | 60.0° |
| C27 | C14 | C15 | C16 | 1.0° | 0.2° |
| C27 | C14 | C15 | C3 | 179.5° | 179.8° |
| C27 | C14 | C3 | C4 | 0.5° | 0.1° |
| C27 | C14 | C15 | C | 179.0° | 179.9° |
| C27 | C14 | C3 | C2 | 178.1° | 179.9° |
| C26 | N7 | C24 | H35 | 62.8° | 51.1° |
| C26 | N7 | C24 | H36 | 179.3° | 68.9° |
| C26 | N7 | C25 | H39 | 60.1° | 56.1° |
| C26 | N7 | C25 | H37 | 179.9° | 176.0° |
| C26 | N7 | C25 | H38 | 59.9° | 63.9° |
| N7 | C26 | H41 | H42 | 120.0° | 120.0° |
| N7 | C26 | H41 | H40 | 120.0° | 119.9° |
| N7 | C26 | H42 | H40 | 120.0° | 120.0° |
| C12 | C6 | C5 | C4 | 0.5° | 0.0° |
| C12 | C6 | C5 | N | 175.9° | 179.9° |
| C12 | C6 | N | C11 | 76.1° | 0.1° |
| C12 | C6 | N | C7 | 131.5° | 123.8° |
| C12 | C6 | C5 | H3 | 179.5° | 180.0° |
| N3 | C16 | C15 | C14 | 179.4° | 180.0° |
| N3 | C16 | C15 | C | 0.6° | 0.2° |
| C16 | N3 | C17 | H24 | 76.9° | 60.0° |
| C16 | N3 | C17 | H23 | 42.9° | 60.0° |
| C16 | C15 | C14 | C | 180.0° | 179.7° |
| C16 | C15 | C14 | C3 | 179.6° | 180.0° |
| C16 | C15 | C | C1 | 179.6° | 179.7° |
| C15 | C16 | N3 | H2 | 55.0° | 0.0° |
| C16 | C15 | C | H10 | 0.3° | 0.3° |
| C15 | C14 | C3 | C4 | 180.0° | 179.8° |
| C15 | C14 | C3 | C2 | 1.3° | 0.2° |
| C14 | C15 | C | C1 | 0.4° | 0.0° |
| C14 | C15 | C | H10 | 179.6° | 180.0° |
| C15 | C14 | C27 | H43 | 179.1° | 179.5° |
| C14 | C3 | C4 | C2 | 178.7° | 180.0° |
| C14 | C3 | C4 | C5 | 103.7° | 130.0° |
| C3 | C14 | C15 | C | 0.4° | 0.2° |
| C14 | C3 | C2 | C1 | 1.4° | 0.0° |
| C14 | C3 | C2 | H9 | 178.6° | 180.0° |
| C3 | C14 | C27 | H43 | 0.3° | 0.3° |
| C4 | C3 | C2 | C1 | 179.9° | 180.0° |
| C3 | C4 | C5 | C6 | 176.3° | 180.0° |
| C3 | C4 | C5 | H3 | 3.7° | 0.0° |
| C4 | C3 | C2 | H9 | 0.1° | 0.1° |
| C3 | C4 | C13 | H22 | 3.4° | 0.3° |
| C5 | C4 | C3 | C2 | 75.0° | 50.0° |
| C4 | C5 | C6 | H3 | 180.0° | 179.9° |
| C4 | C5 | C6 | N | 175.4° | 180.0° |
| C5 | C4 | C13 | H22 | 179.5° | 180.0° |
| C15 | C | C1 | H10 | 180.0° | 180.0° |
| C15 | C | C1 | C2 | 0.3° | 0.2° |
| C15 | C | C1 | H8 | 179.7° | 179.9° |
| C3 | C2 | C1 | C | 0.6° | 0.2° |
| C3 | C2 | C1 | H9 | 180.0° | 179.9° |
| C3 | C2 | C1 | H8 | 179.4° | 179.9° |
| C | C1 | C2 | H8 | 180.0° | 179.7° |
| C | C1 | C2 | H9 | 179.3° | 179.7° |
| C2 | C1 | C | H10 | 179.7° | 179.7° |
| C5 | C6 | N | C11 | 99.7° | 180.0° |
| C5 | C6 | N | C7 | 52.7° | 56.1° |
| C5 | C6 | C12 | H21 | 179.8° | 179.7° |
| C6 | N | C11 | C7 | 154.7° | 123.9° |
| C6 | N | C11 | C10 | 92.2° | 176.8° |
| C6 | N | C7 | C8 | 94.7° | 176.8° |
| N | C6 | C5 | H3 | 4.6° | 0.1° |
| C6 | N | C7 | H4 | 145.2° | 63.3° |
| C6 | N | C7 | H5 | 25.3° | 56.8° |
| C6 | N | C11 | H20 | 27.7° | 63.2° |
| C6 | N | C11 | H19 | 148.0° | 56.8° |
| N | C6 | C12 | H21 | 3.9° | 0.2° |
| N | C11 | C10 | H20 | 119.8° | 120.0° |
| N | C11 | C10 | H19 | 119.8° | 120.0° |
| C11 | N | C7 | C8 | 59.2° | 59.3° |
| N | C11 | C10 | N1 | 55.3° | 58.4° |
| C11 | N | C7 | H4 | 60.9° | 60.6° |
| C11 | N | C7 | H5 | 179.2° | 179.3° |
| N | C11 | C10 | H18 | 65.4° | 61.6° |
| N | C11 | C10 | H17 | 176.1° | 178.4° |
| N | C11 | H20 | H19 | 120.6° | 120.1° |
| C7 | N | C11 | C10 | 62.6° | 59.3° |
| N | C7 | C8 | H4 | 120.0° | 119.9° |
| N | C7 | C8 | H5 | 120.0° | 120.0° |
| N | C7 | C8 | N1 | 48.2° | 58.4° |
| N | C7 | H4 | H5 | 119.9° | 120.1° |
| N | C7 | C8 | H6 | 169.1° | 178.3° |
| N | C7 | C8 | H7 | 72.7° | 61.6° |
| C7 | N | C11 | H20 | 177.6° | 60.6° |
| C7 | N | C11 | H19 | 57.3° | 179.3° |
| C11 | C10 | N1 | H18 | 120.7° | 120.0° |
| C11 | C10 | N1 | H17 | 120.8° | 120.0° |
| C11 | C10 | N1 | C8 | 45.7° | 59.3° |
| C11 | C10 | N1 | C9 | 73.9° | 176.8° |
| C11 | C10 | H18 | H17 | 117.8° | 120.1° |
| C10 | C11 | H20 | H19 | 120.6° | 120.0° |
| C7 | C8 | N1 | C10 | 42.2° | 59.3° |
| C7 | C8 | N1 | H6 | 120.9° | 119.9° |
| C7 | C8 | N1 | H7 | 120.9° | 120.0° |
| C7 | C8 | N1 | C9 | 77.3° | 176.8° |
| C8 | C7 | H4 | H5 | 119.9° | 120.1° |
| C7 | C8 | H6 | H7 | 117.1° | 120.0° |
| C10 | N1 | C8 | C9 | 119.5° | 123.9° |
| C10 | N1 | C8 | H6 | 163.1° | 179.2° |
| C10 | N1 | C8 | H7 | 78.8° | 60.7° |
| C10 | N1 | C9 | H15 | 180.0° | 176.2° |
| C10 | N1 | C9 | H16 | 60.0° | 56.2° |
| C10 | N1 | C9 | H14 | 60.0° | 63.8° |
| N1 | C10 | H18 | H17 | 117.7° | 120.0° |
| N1 | C10 | C11 | H20 | 175.2° | 61.6° |
| N1 | C10 | C11 | H19 | 64.5° | 178.4° |
| N1 | C8 | C7 | H4 | 71.8° | 61.5° |
| N1 | C8 | C7 | H5 | 168.3° | 178.4° |
| N1 | C8 | H6 | H7 | 117.2° | 120.1° |
| C8 | N1 | C9 | H15 | 59.1° | 60.0° |
| C8 | N1 | C9 | H16 | 179.1° | 180.0° |
| C8 | N1 | C9 | H14 | 60.9° | 60.0° |
| C8 | N1 | C10 | H18 | 75.0° | 60.7° |
| C8 | N1 | C10 | H17 | 166.4° | 179.3° |
| C9 | N1 | C8 | H6 | 43.6° | 56.9° |
| C9 | N1 | C8 | H7 | 161.8° | 63.2° |
| N1 | C9 | H15 | H16 | 120.0° | 120.0° |
| N1 | C9 | H15 | H14 | 120.0° | 120.0° |
| N1 | C9 | H16 | H14 | 120.0° | 120.0° |
| C9 | N1 | C10 | H18 | 165.4° | 63.2° |
| C9 | N1 | C10 | H17 | 46.9° | 56.8° |
| H2 | N3 | C17 | H24 | 161.2° | 120.0° |
| H2 | N3 | C17 | H23 | 79.0° | 120.0° |
| H4 | C7 | C8 | H6 | 49.1° | 58.4° |
| H4 | C7 | C8 | H7 | 167.2° | 178.4° |
| H5 | C7 | C8 | H6 | 70.8° | 61.6° |
| H5 | C7 | C8 | H7 | 47.3° | 58.4° |
| H8 | C1 | C2 | H9 | 0.7° | 0.0° |
| H8 | C1 | C | H10 | 0.2° | 0.0° |
| H15 | C9 | H16 | H14 | 120.0° | 120.0° |
| H18 | C10 | C11 | H20 | 54.4° | 178.4° |
| H18 | C10 | C11 | H19 | 174.8° | 58.4° |
| H17 | C10 | C11 | H20 | 64.1° | 58.4° |
| H17 | C10 | C11 | H19 | 56.2° | 61.6° |
| H24 | C17 | C18 | H26 | 173.5° | 60.0° |
| H24 | C17 | C18 | H25 | 54.6° | 180.0° |
| H23 | C17 | C18 | H26 | 66.7° | 180.0° |
| H23 | C17 | C18 | H25 | 174.4° | 60.0° |
| H28 | C19 | H29 | H27 | 120.0° | 120.0° |
| H30 | C20 | H31 | H32 | 120.0° | 120.1° |
| H34 | C23 | C24 | H35 | 165.8° | 176.8° |
| H34 | C23 | C24 | H36 | 47.9° | 63.2° |
| H33 | C23 | C24 | H35 | 73.1° | 63.1° |
| H33 | C23 | C24 | H36 | 169.0° | 56.9° |
| H39 | C25 | H37 | H38 | 120.0° | 120.1° |
| H41 | C26 | H42 | H40 | 120.0° | 120.0° |
