A1DLL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C4 | sing | 1.45Å | 1.45Å | |
| O | C5 | sing | 1.34Å | 1.35Å | |
| C4 | C3 | sing | 1.51Å | 1.50Å | |
| O1 | C5 | doub | 1.22Å | 1.21Å | |
| C5 | N2 | sing | 1.35Å | 1.39Å | |
| C3 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C3 | C | sing | 1.38Å | 1.37Å | Aromatic |
| N2 | C2 | sing | 1.39Å | 1.44Å | |
| N2 | C6 | sing | 1.46Å | 1.48Å | |
| C2 | N1 | sing | 1.33Å | 1.33Å | Aromatic |
| C6 | C7 | sing | 1.53Å | 1.49Å | |
| C | N | doub | 1.33Å | 1.34Å | Aromatic |
| N1 | C1 | doub | 1.33Å | 1.34Å | Aromatic |
| N | C1 | sing | 1.32Å | 1.34Å | Aromatic |
| C1 | N3 | sing | 1.38Å | 1.34Å | |
| N3 | C8 | sing | 1.46Å | 1.47Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | C10 | sing | 1.51Å | 1.52Å | |
| C10 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.53Å | 1.49Å | |
| C26 | C25 | sing | 1.53Å | 1.48Å | |
| C27 | C25 | sing | 1.53Å | 1.49Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C16 | sing | 1.51Å | 1.52Å | |
| C24 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | N4 | sing | 1.47Å | 1.52Å | |
| N4 | C17 | sing | 1.47Å | 1.51Å | |
| N4 | C20 | sing | 1.47Å | 1.50Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | N5 | sing | 1.47Å | 1.47Å | |
| C19 | N5 | sing | 1.47Å | 1.47Å | |
| N5 | C21 | sing | 1.35Å | 1.35Å | |
| C21 | O2 | doub | 1.21Å | 1.22Å | |
| C21 | C22 | sing | 1.51Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C7 | H35 | sing | 1.09Å | 1.10Å | |
| C7 | H34 | sing | 1.09Å | 1.10Å | |
| C7 | H33 | sing | 1.09Å | 1.10Å | |
| C6 | H32 | sing | 1.09Å | 1.10Å | |
| C6 | H31 | sing | 1.09Å | 1.10Å | |
| C4 | H37 | sing | 1.09Å | 1.10Å | |
| C4 | H36 | sing | 1.09Å | 1.10Å | |
| C | H38 | sing | 1.08Å | 1.08Å | |
| C11 | H23 | sing | 1.08Å | 1.08Å | |
| C12 | H22 | sing | 1.08Å | 1.08Å | |
| C14 | H24 | sing | 1.08Å | 1.08Å | |
| C15 | H25 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H1 | sing | 1.09Å | 1.10Å | |
| C22 | H2 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | H4 | sing | 1.09Å | 1.10Å | |
| C23 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C8 | H26 | sing | 1.09Å | 1.10Å | |
| C9 | H27 | sing | 1.09Å | 1.10Å | |
| C9 | H28 | sing | 1.09Å | 1.10Å | |
| C9 | H29 | sing | 1.09Å | 1.10Å | |
| N3 | H30 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | O | C5 | 123.4° | 117.4° |
| O | C4 | C3 | 111.2° | 108.6° |
| O | C4 | H37 | 109.1° | 109.6° |
| O | C4 | H36 | 109.0° | 109.8° |
| O | C5 | O1 | 117.6° | 119.6° |
| O | C5 | N2 | 119.4° | 120.9° |
| C4 | C3 | C2 | 118.1° | 119.2° |
| C4 | C3 | C | 126.4° | 121.8° |
| C3 | C4 | H37 | 109.0° | 109.6° |
| C3 | C4 | H36 | 109.0° | 109.6° |
| O1 | C5 | N2 | 123.0° | 119.5° |
| C5 | N2 | C2 | 119.3° | 119.6° |
| C5 | N2 | C6 | 119.3° | 120.2° |
| C2 | C3 | C | 115.4° | 119.1° |
| C3 | C2 | N2 | 119.3° | 119.1° |
| C3 | C2 | N1 | 122.0° | 119.1° |
| C3 | C | N | 124.0° | 118.7° |
| C3 | C | H38 | 118.0° | 120.6° |
| C2 | N2 | C6 | 120.7° | 120.2° |
| N2 | C2 | N1 | 118.4° | 121.8° |
| N2 | C6 | C7 | 112.7° | 109.5° |
| N2 | C6 | H32 | 108.6° | 109.5° |
| N2 | C6 | H31 | 108.7° | 109.5° |
| C2 | N1 | C1 | 116.6° | 120.2° |
| C6 | C7 | H35 | 109.5° | 109.4° |
| C6 | C7 | H34 | 109.4° | 109.5° |
| C6 | C7 | H33 | 109.5° | 109.4° |
| C7 | C6 | H32 | 108.7° | 109.4° |
| C7 | C6 | H31 | 108.7° | 109.5° |
| C | N | C1 | 115.3° | 121.0° |
| N | C | H38 | 118.0° | 120.7° |
| N1 | C1 | N | 126.5° | 121.9° |
| N1 | C1 | N3 | 116.8° | 119.0° |
| N | C1 | N3 | 116.8° | 119.1° |
| C1 | N3 | C8 | 126.0° | 120.0° |
| C1 | N3 | H30 | 105.2° | 120.0° |
| N3 | C8 | C9 | 109.2° | 109.5° |
| N3 | C8 | C10 | 113.6° | 109.5° |
| N3 | C8 | H26 | 107.6° | 109.5° |
| C8 | N3 | H30 | 105.2° | 120.0° |
| C9 | C8 | C10 | 112.2° | 109.4° |
| C9 | C8 | H26 | 106.9° | 109.5° |
| C8 | C9 | H27 | 109.5° | 109.4° |
| C8 | C9 | H28 | 109.5° | 109.4° |
| C8 | C9 | H29 | 109.5° | 109.5° |
| C8 | C10 | C15 | 120.0° | 120.1° |
| C8 | C10 | C11 | 121.9° | 120.0° |
| C10 | C8 | H26 | 107.0° | 109.4° |
| C15 | C10 | C11 | 118.1° | 119.9° |
| C10 | C15 | C14 | 121.1° | 120.0° |
| C10 | C15 | H25 | 119.5° | 119.9° |
| C10 | C11 | C12 | 121.0° | 120.0° |
| C10 | C11 | H23 | 119.5° | 120.0° |
| C15 | C14 | C13 | 121.1° | 120.0° |
| C15 | C14 | H24 | 119.5° | 120.0° |
| C14 | C15 | H25 | 119.5° | 120.1° |
| C11 | C12 | C13 | 121.0° | 120.0° |
| C12 | C11 | H23 | 119.5° | 120.0° |
| C11 | C12 | H22 | 119.5° | 120.0° |
| C27 | C26 | C25 | 60.1° | 60.0° |
| C26 | C27 | C25 | 59.8° | 60.0° |
| C27 | C26 | H21 | 120.0° | 117.5° |
| C27 | C26 | H20 | 120.0° | 117.5° |
| C26 | C27 | H18 | 120.0° | 117.5° |
| C26 | C27 | H19 | 120.0° | 117.5° |
| C26 | C25 | C27 | 60.1° | 60.0° |
| C26 | C25 | C24 | 119.6° | 117.5° |
| C26 | C25 | H17 | 115.8° | 117.5° |
| C25 | C26 | H21 | 120.0° | 117.5° |
| C25 | C26 | H20 | 120.0° | 117.5° |
| C27 | C25 | C24 | 119.6° | 117.5° |
| C27 | C25 | H17 | 115.7° | 117.5° |
| C25 | C27 | H18 | 120.0° | 117.5° |
| C25 | C27 | H19 | 120.0° | 117.5° |
| C25 | C24 | C16 | 109.9° | 109.5° |
| C25 | C24 | H15 | 109.4° | 109.5° |
| C25 | C24 | H16 | 109.4° | 109.5° |
| C24 | C25 | H17 | 115.0° | 115.6° |
| C14 | C13 | C12 | 117.8° | 120.0° |
| C14 | C13 | C16 | 118.4° | 120.0° |
| C13 | C14 | H24 | 119.5° | 120.0° |
| C12 | C13 | C16 | 123.7° | 120.0° |
| C13 | C12 | H22 | 119.5° | 120.0° |
| C13 | C16 | C24 | 114.8° | 109.5° |
| C13 | C16 | N4 | 111.2° | 109.5° |
| C13 | C16 | H14 | 106.3° | 109.5° |
| C24 | C16 | N4 | 111.5° | 109.5° |
| C24 | C16 | H14 | 106.0° | 109.5° |
| C16 | C24 | H15 | 109.4° | 109.5° |
| C16 | C24 | H16 | 109.4° | 109.4° |
| C16 | N4 | C17 | 114.6° | 111.0° |
| C16 | N4 | C20 | 116.3° | 111.0° |
| N4 | C16 | H14 | 106.3° | 109.5° |
| C17 | N4 | C20 | 109.9° | 111.3° |
| N4 | C17 | C18 | 110.3° | 109.3° |
| N4 | C17 | H7 | 109.3° | 109.5° |
| N4 | C17 | H8 | 109.3° | 109.5° |
| N4 | C20 | C19 | 110.2° | 109.3° |
| N4 | C20 | H11 | 109.3° | 109.5° |
| N4 | C20 | H12 | 109.3° | 109.5° |
| C17 | C18 | N5 | 110.8° | 108.5° |
| C18 | C17 | H7 | 109.3° | 109.5° |
| C18 | C17 | H8 | 109.2° | 109.5° |
| C17 | C18 | H6 | 109.2° | 109.6° |
| C17 | C18 | H5 | 109.1° | 109.6° |
| C20 | C19 | N5 | 110.8° | 108.5° |
| C20 | C19 | H9 | 109.1° | 109.7° |
| C20 | C19 | H10 | 109.2° | 109.8° |
| C19 | C20 | H11 | 109.3° | 109.5° |
| C19 | C20 | H12 | 109.3° | 109.5° |
| C18 | N5 | C19 | 112.5° | 118.2° |
| C18 | N5 | C21 | 120.8° | 120.9° |
| N5 | C18 | H6 | 109.1° | 109.6° |
| N5 | C18 | H5 | 109.2° | 109.6° |
| C19 | N5 | C21 | 126.6° | 120.9° |
| N5 | C19 | H9 | 109.2° | 109.6° |
| N5 | C19 | H10 | 109.1° | 109.6° |
| N5 | C21 | O2 | 121.2° | 120.0° |
| N5 | C21 | C22 | 118.6° | 120.0° |
| O2 | C21 | C22 | 120.0° | 120.0° |
| C21 | C22 | C23 | 113.1° | 109.5° |
| C21 | C22 | H1 | 108.6° | 109.5° |
| C21 | C22 | H2 | 108.6° | 109.5° |
| C23 | C22 | H1 | 108.6° | 109.4° |
| C23 | C22 | H2 | 108.6° | 109.5° |
| C22 | C23 | H39 | 109.5° | 109.4° |
| C22 | C23 | H4 | 109.5° | 109.5° |
| C22 | C23 | H3 | 109.4° | 109.5° |
| H35 | C7 | H34 | 109.5° | 109.5° |
| H35 | C7 | H33 | 109.5° | 109.5° |
| H34 | C7 | H33 | 109.5° | 109.5° |
| H32 | C6 | H31 | 109.5° | 109.5° |
| H37 | C4 | H36 | 109.5° | 109.6° |
| H7 | C17 | H8 | 109.5° | 109.5° |
| H6 | C18 | H5 | 109.5° | 109.8° |
| H9 | C19 | H10 | 109.4° | 109.6° |
| H11 | C20 | H12 | 109.5° | 109.5° |
| H1 | C22 | H2 | 109.5° | 109.4° |
| H39 | C23 | H4 | 109.5° | 109.5° |
| H39 | C23 | H3 | 109.5° | 109.5° |
| H4 | C23 | H3 | 109.4° | 109.5° |
| H15 | C24 | H16 | 109.4° | 109.4° |
| H21 | C26 | H20 | 109.5° | 115.6° |
| H18 | C27 | H19 | 109.5° | 115.6° |
| H27 | C9 | H28 | 109.4° | 109.4° |
| H27 | C9 | H29 | 109.5° | 109.5° |
| H28 | C9 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C4 | C3 | H37 | 120.3° | 119.7° |
| O | C4 | C3 | H36 | 120.2° | 119.9° |
| C4 | O | C5 | O1 | 168.5° | 145.9° |
| C4 | O | C5 | N2 | 10.8° | 34.1° |
| O | C4 | C3 | C2 | 30.7° | 28.1° |
| O | C4 | C3 | C | 151.7° | 152.2° |
| O | C4 | H37 | H36 | 119.2° | 120.5° |
| C5 | O | C4 | C3 | 31.7° | 44.8° |
| O | C5 | O1 | N2 | 179.3° | 180.0° |
| O | C5 | N2 | C2 | 12.5° | 1.9° |
| O | C5 | N2 | C6 | 177.2° | 178.2° |
| C5 | O | C4 | H37 | 88.5° | 74.9° |
| C5 | O | C4 | H36 | 152.0° | 164.6° |
| C4 | C3 | C2 | C | 177.9° | 179.7° |
| C4 | C3 | C2 | N2 | 11.1° | 0.3° |
| C4 | C3 | C2 | N1 | 174.8° | 179.9° |
| C4 | C3 | C | N | 175.7° | 179.9° |
| C3 | C4 | H37 | H36 | 119.2° | 120.4° |
| C4 | C3 | C | H38 | 4.3° | 0.4° |
| O1 | C5 | N2 | C2 | 168.2° | 178.1° |
| O1 | C5 | N2 | C6 | 2.1° | 1.8° |
| C5 | N2 | C2 | C3 | 11.7° | 14.9° |
| C5 | N2 | C2 | C6 | 170.1° | 179.9° |
| C5 | N2 | C2 | N1 | 162.6° | 164.9° |
| C5 | N2 | C6 | C7 | 87.5° | 90.0° |
| C5 | N2 | C6 | H32 | 33.0° | 30.0° |
| C5 | N2 | C6 | H31 | 152.0° | 150.0° |
| C3 | C2 | N2 | N1 | 174.4° | 179.8° |
| C3 | C2 | N2 | C6 | 178.1° | 165.0° |
| C2 | C3 | C | N | 2.0° | 0.3° |
| C3 | C2 | N1 | C1 | 1.5° | 0.0° |
| C2 | C3 | C4 | H37 | 89.6° | 91.6° |
| C2 | C3 | C4 | H36 | 150.9° | 148.0° |
| C2 | C3 | C | H38 | 178.0° | 180.0° |
| C | C3 | C2 | N2 | 171.1° | 179.9° |
| C | C3 | C2 | N1 | 3.1° | 0.3° |
| C3 | C | N | H38 | 180.0° | 179.7° |
| C3 | C | N | C1 | 0.7° | 0.1° |
| C | C3 | C4 | H37 | 88.0° | 88.1° |
| C | C3 | C4 | H36 | 31.4° | 32.3° |
| C2 | N2 | C6 | C7 | 82.7° | 90.1° |
| N2 | C2 | N1 | C1 | 172.7° | 179.8° |
| C2 | N2 | C6 | H32 | 156.9° | 150.0° |
| C2 | N2 | C6 | H31 | 37.8° | 30.0° |
| C6 | N2 | C2 | N1 | 7.5° | 15.2° |
| N2 | C6 | C7 | H32 | 120.5° | 120.0° |
| N2 | C6 | C7 | H31 | 120.5° | 120.0° |
| N2 | C6 | C7 | H35 | 180.0° | 60.0° |
| N2 | C6 | C7 | H34 | 60.0° | 180.0° |
| N2 | C6 | C7 | H33 | 60.0° | 60.0° |
| N2 | C6 | H32 | H31 | 118.5° | 120.0° |
| C2 | N1 | C1 | N | 1.5° | 0.2° |
| C2 | N1 | C1 | N3 | 178.1° | 180.0° |
| C6 | C7 | H35 | H34 | 120.0° | 120.0° |
| C6 | C7 | H35 | H33 | 120.0° | 119.9° |
| C6 | C7 | H34 | H33 | 120.0° | 120.0° |
| C7 | C6 | H32 | H31 | 118.5° | 120.0° |
| C | N | C1 | N1 | 2.6° | 0.2° |
| C | N | C1 | N3 | 177.0° | 179.9° |
| N1 | C1 | N | N3 | 179.6° | 179.7° |
| N1 | C1 | N3 | C8 | 5.7° | 180.0° |
| N1 | C1 | N3 | H30 | 127.9° | 0.0° |
| N | C1 | N3 | C8 | 174.0° | 0.3° |
| C1 | N | C | H38 | 179.3° | 179.7° |
| N | C1 | N3 | H30 | 51.8° | 179.7° |
| C1 | N3 | C8 | H30 | 122.2° | 180.0° |
| C1 | N3 | C8 | C9 | 158.9° | 85.1° |
| C1 | N3 | C8 | C10 | 75.0° | 155.0° |
| C1 | N3 | C8 | H26 | 43.2° | 35.0° |
| N3 | C8 | C9 | C10 | 126.9° | 120.0° |
| N3 | C8 | C9 | H26 | 116.1° | 120.1° |
| N3 | C8 | C10 | H26 | 118.6° | 120.0° |
| N3 | C8 | C10 | C15 | 168.6° | 140.0° |
| N3 | C8 | C10 | C11 | 11.4° | 39.7° |
| N3 | C8 | C9 | H27 | 180.0° | 180.0° |
| N3 | C8 | C9 | H28 | 60.0° | 60.1° |
| N3 | C8 | C9 | H29 | 60.0° | 59.9° |
| C9 | C8 | C10 | H26 | 116.9° | 120.0° |
| C9 | C8 | C10 | C15 | 66.9° | 100.0° |
| C9 | C8 | C10 | C11 | 113.1° | 80.2° |
| C8 | C9 | H27 | H28 | 120.0° | 119.9° |
| C8 | C9 | H27 | H29 | 120.0° | 120.1° |
| C8 | C9 | H28 | H29 | 120.0° | 120.0° |
| C9 | C8 | N3 | H30 | 36.6° | 95.0° |
| C8 | C10 | C15 | C11 | 180.0° | 179.8° |
| C8 | C10 | C15 | C14 | 179.5° | 179.7° |
| C8 | C10 | C11 | C12 | 179.7° | 179.7° |
| C8 | C10 | C11 | H23 | 0.3° | 0.3° |
| C8 | C10 | C15 | H25 | 0.5° | 0.3° |
| C10 | C8 | C9 | H27 | 53.1° | 60.1° |
| C10 | C8 | C9 | H28 | 173.1° | 180.0° |
| C10 | C8 | C9 | H29 | 66.9° | 60.0° |
| C10 | C8 | N3 | H30 | 162.7° | 25.0° |
| C10 | C15 | C14 | H25 | 180.0° | 180.0° |
| C15 | C10 | C11 | C12 | 0.3° | 0.1° |
| C10 | C15 | C14 | C13 | 1.0° | 0.1° |
| C15 | C10 | C11 | H23 | 179.7° | 180.0° |
| C10 | C15 | C14 | H24 | 179.0° | 180.0° |
| C15 | C10 | C8 | H26 | 50.1° | 20.0° |
| C11 | C10 | C15 | C14 | 0.5° | 0.1° |
| C10 | C11 | C12 | H23 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.5° | 0.0° |
| C10 | C11 | C12 | H22 | 179.5° | 180.0° |
| C11 | C10 | C15 | H25 | 179.5° | 180.0° |
| C11 | C10 | C8 | H26 | 129.9° | 159.8° |
| C15 | C14 | C13 | H24 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.8° | 0.1° |
| C15 | C14 | C13 | C16 | 177.6° | 180.0° |
| C11 | C12 | C13 | C14 | 0.0° | 0.1° |
| C11 | C12 | C13 | H22 | 180.0° | 179.9° |
| C11 | C12 | C13 | C16 | 178.3° | 180.0° |
| C27 | C26 | C25 | H21 | 109.5° | 107.5° |
| C27 | C26 | C25 | H20 | 109.5° | 107.4° |
| C26 | C27 | C25 | H18 | 109.4° | 107.5° |
| C26 | C27 | C25 | H19 | 109.4° | 107.5° |
| C27 | C26 | C25 | C24 | 109.2° | 107.5° |
| C27 | C26 | C25 | H17 | 106.1° | 107.5° |
| C27 | C26 | H21 | H20 | 144.7° | 145.7° |
| C26 | C27 | H18 | H19 | 144.8° | 145.7° |
| C26 | C25 | C24 | H17 | 144.9° | 145.7° |
| C26 | C25 | C24 | C16 | 73.3° | 175.1° |
| C26 | C25 | C24 | H15 | 166.6° | 55.1° |
| C26 | C25 | C24 | H16 | 46.8° | 64.9° |
| C25 | C26 | H21 | H20 | 144.7° | 145.7° |
| C27 | C25 | C24 | H17 | 144.7° | 145.7° |
| C27 | C25 | C24 | C16 | 143.7° | 116.3° |
| C27 | C25 | C24 | H15 | 96.2° | 123.7° |
| C27 | C25 | C24 | H16 | 23.6° | 3.7° |
| C25 | C27 | H18 | H19 | 144.9° | 145.6° |
| C25 | C24 | C16 | C13 | 70.6° | 175.0° |
| C25 | C24 | C16 | H15 | 120.1° | 120.1° |
| C25 | C24 | C16 | H16 | 120.1° | 120.0° |
| C25 | C24 | C16 | N4 | 161.7° | 65.0° |
| C25 | C24 | C16 | H14 | 46.4° | 55.0° |
| C25 | C24 | H15 | H16 | 119.8° | 120.0° |
| C24 | C25 | C26 | H21 | 0.3° | 145.0° |
| C24 | C25 | C26 | H20 | 141.3° | 0.1° |
| C24 | C25 | C27 | H18 | 141.3° | 0.0° |
| C24 | C25 | C27 | H19 | 0.1° | 145.0° |
| C14 | C13 | C12 | C16 | 178.3° | 180.0° |
| C14 | C13 | C16 | C24 | 145.0° | 50.2° |
| C14 | C13 | C16 | N4 | 87.2° | 69.8° |
| C14 | C13 | C12 | H22 | 180.0° | 180.0° |
| C13 | C14 | C15 | H25 | 179.0° | 180.0° |
| C14 | C13 | C16 | H14 | 28.1° | 170.1° |
| C12 | C13 | C16 | C24 | 36.8° | 129.9° |
| C12 | C13 | C16 | N4 | 91.1° | 110.1° |
| C13 | C12 | C11 | H23 | 179.5° | 180.0° |
| C12 | C13 | C14 | H24 | 179.2° | 180.0° |
| C12 | C13 | C16 | H14 | 153.6° | 9.9° |
| C13 | C16 | C24 | N4 | 127.7° | 120.0° |
| C13 | C16 | C24 | H14 | 117.0° | 120.0° |
| C13 | C16 | N4 | H14 | 115.3° | 120.0° |
| C13 | C16 | N4 | C17 | 63.7° | 67.5° |
| C13 | C16 | N4 | C20 | 66.3° | 56.8° |
| C16 | C13 | C12 | H22 | 1.7° | 0.1° |
| C16 | C13 | C14 | H24 | 2.4° | 0.0° |
| C13 | C16 | C24 | H15 | 49.4° | 65.0° |
| C13 | C16 | C24 | H16 | 169.3° | 55.0° |
| C24 | C16 | N4 | H14 | 115.1° | 120.0° |
| C24 | C16 | N4 | C17 | 166.7° | 172.5° |
| C24 | C16 | N4 | C20 | 63.3° | 63.2° |
| C16 | C24 | H15 | H16 | 119.8° | 119.9° |
| C16 | C24 | C25 | H17 | 71.6° | 29.4° |
| C16 | N4 | C17 | C20 | 133.1° | 124.2° |
| C16 | N4 | C17 | C18 | 169.4° | 172.7° |
| C16 | N4 | C20 | C19 | 169.8° | 172.7° |
| C16 | N4 | C17 | H7 | 49.3° | 67.3° |
| C16 | N4 | C17 | H8 | 70.5° | 52.8° |
| C16 | N4 | C20 | H11 | 70.0° | 52.8° |
| C16 | N4 | C20 | H12 | 49.7° | 67.3° |
| N4 | C16 | C24 | H15 | 78.3° | 55.1° |
| N4 | C16 | C24 | H16 | 41.6° | 175.0° |
| N4 | C17 | C18 | H7 | 120.1° | 120.0° |
| N4 | C17 | C18 | H8 | 120.1° | 120.0° |
| C17 | N4 | C20 | C19 | 58.0° | 63.1° |
| N4 | C17 | C18 | N5 | 56.0° | 53.8° |
| C17 | N4 | C16 | H14 | 51.6° | 52.5° |
| N4 | C17 | H7 | H8 | 119.6° | 120.1° |
| N4 | C17 | C18 | H6 | 64.2° | 65.9° |
| N4 | C17 | C18 | H5 | 176.2° | 173.5° |
| C17 | N4 | C20 | H11 | 62.1° | 176.9° |
| C17 | N4 | C20 | H12 | 178.1° | 56.9° |
| C20 | N4 | C17 | C18 | 57.5° | 63.1° |
| N4 | C20 | C19 | H11 | 120.1° | 120.0° |
| N4 | C20 | C19 | H12 | 120.1° | 120.0° |
| N4 | C20 | C19 | N5 | 57.0° | 53.8° |
| C20 | N4 | C16 | H14 | 178.4° | 176.8° |
| C20 | N4 | C17 | H7 | 177.6° | 56.9° |
| C20 | N4 | C17 | H8 | 62.6° | 176.9° |
| N4 | C20 | C19 | H9 | 177.2° | 173.5° |
| N4 | C20 | C19 | H10 | 63.2° | 66.0° |
| N4 | C20 | H11 | H12 | 119.7° | 120.1° |
| C17 | C18 | N5 | H6 | 120.2° | 119.7° |
| C17 | C18 | N5 | H5 | 120.2° | 119.7° |
| C17 | C18 | N5 | C19 | 55.7° | 51.2° |
| C17 | C18 | N5 | C21 | 128.9° | 128.8° |
| C18 | C17 | H7 | H8 | 119.6° | 120.0° |
| C17 | C18 | H6 | H5 | 119.4° | 120.5° |
| C20 | C19 | N5 | C18 | 56.3° | 51.2° |
| C20 | C19 | N5 | H9 | 120.2° | 119.8° |
| C20 | C19 | N5 | H10 | 120.2° | 119.9° |
| C20 | C19 | N5 | C21 | 128.7° | 128.8° |
| C20 | C19 | H9 | H10 | 119.4° | 120.6° |
| C19 | C20 | H11 | H12 | 119.7° | 120.0° |
| C18 | N5 | C19 | C21 | 175.1° | 180.0° |
| C18 | N5 | C21 | O2 | 4.6° | 0.0° |
| C18 | N5 | C21 | C22 | 178.9° | 180.0° |
| N5 | C18 | C17 | H7 | 176.1° | 66.1° |
| N5 | C18 | C17 | H8 | 64.1° | 173.8° |
| N5 | C18 | H6 | H5 | 119.4° | 120.5° |
| C18 | N5 | C19 | H9 | 176.5° | 170.9° |
| C18 | N5 | C19 | H10 | 63.9° | 68.8° |
| C19 | N5 | C21 | O2 | 170.0° | 180.0° |
| C19 | N5 | C21 | C22 | 6.4° | 0.0° |
| C19 | N5 | C18 | H6 | 64.5° | 68.6° |
| C19 | N5 | C18 | H5 | 175.9° | 170.9° |
| N5 | C19 | H9 | H10 | 119.4° | 120.3° |
| N5 | C19 | C20 | H11 | 63.2° | 173.8° |
| N5 | C19 | C20 | H12 | 177.0° | 66.2° |
| N5 | C21 | O2 | C22 | 176.4° | 180.0° |
| N5 | C21 | C22 | C23 | 179.6° | 180.0° |
| C21 | N5 | C18 | H6 | 110.9° | 111.4° |
| C21 | N5 | C18 | H5 | 8.7° | 9.1° |
| C21 | N5 | C19 | H9 | 8.4° | 9.1° |
| C21 | N5 | C19 | H10 | 111.1° | 111.2° |
| N5 | C21 | C22 | H1 | 59.1° | 60.0° |
| N5 | C21 | C22 | H2 | 59.8° | 60.0° |
| O2 | C21 | C22 | C23 | 3.9° | 0.0° |
| O2 | C21 | C22 | H1 | 124.4° | 120.0° |
| O2 | C21 | C22 | H2 | 116.6° | 120.0° |
| C21 | C22 | C23 | H1 | 120.5° | 120.0° |
| C21 | C22 | C23 | H2 | 120.5° | 120.0° |
| C21 | C22 | H1 | H2 | 118.4° | 120.0° |
| C21 | C22 | C23 | H39 | 180.0° | 60.0° |
| C21 | C22 | C23 | H4 | 60.0° | 60.0° |
| C21 | C22 | C23 | H3 | 60.0° | 180.0° |
| C23 | C22 | H1 | H2 | 118.4° | 120.0° |
| C22 | C23 | H39 | H4 | 120.0° | 120.0° |
| C22 | C23 | H39 | H3 | 120.0° | 120.0° |
| C22 | C23 | H4 | H3 | 120.0° | 120.0° |
| H35 | C7 | H34 | H33 | 120.0° | 120.1° |
| H35 | C7 | C6 | H32 | 59.5° | 180.0° |
| H35 | C7 | C6 | H31 | 59.5° | 60.1° |
| H34 | C7 | C6 | H32 | 179.6° | 60.0° |
| H34 | C7 | C6 | H31 | 60.5° | 59.9° |
| H33 | C7 | C6 | H32 | 60.5° | 60.0° |
| H33 | C7 | C6 | H31 | 179.6° | 180.0° |
| H23 | C11 | C12 | H22 | 0.5° | 0.0° |
| H24 | C14 | C15 | H25 | 1.0° | 0.0° |
| H14 | C16 | C24 | H15 | 166.4° | 175.1° |
| H14 | C16 | C24 | H16 | 73.7° | 65.0° |
| H7 | C17 | C18 | H6 | 56.0° | 174.2° |
| H7 | C17 | C18 | H5 | 63.6° | 53.6° |
| H8 | C17 | C18 | H6 | 175.7° | 54.1° |
| H8 | C17 | C18 | H5 | 56.1° | 66.4° |
| H9 | C19 | C20 | H11 | 57.1° | 66.5° |
| H9 | C19 | C20 | H12 | 62.7° | 53.5° |
| H10 | C19 | C20 | H11 | 176.7° | 54.0° |
| H10 | C19 | C20 | H12 | 56.9° | 174.0° |
| H1 | C22 | C23 | H39 | 59.5° | 180.0° |
| H1 | C22 | C23 | H4 | 179.5° | 60.0° |
| H1 | C22 | C23 | H3 | 60.6° | 60.0° |
| H2 | C22 | C23 | H39 | 59.4° | 60.0° |
| H2 | C22 | C23 | H4 | 60.6° | 180.0° |
| H2 | C22 | C23 | H3 | 179.5° | 60.0° |
| H39 | C23 | H4 | H3 | 120.0° | 120.0° |
| H15 | C24 | C25 | H17 | 48.4° | 90.6° |
| H16 | C24 | C25 | H17 | 168.3° | 149.4° |
| H17 | C25 | C26 | H21 | 144.4° | 0.0° |
| H17 | C25 | C26 | H20 | 3.3° | 145.0° |
| H17 | C25 | C27 | H18 | 3.1° | 145.0° |
| H17 | C25 | C27 | H19 | 144.3° | 0.0° |
| H21 | C26 | C27 | H18 | 141.1° | 145.1° |
| H21 | C26 | C27 | H19 | 0.1° | 0.0° |
| H20 | C26 | C27 | H18 | 0.1° | 0.1° |
| H20 | C26 | C27 | H19 | 141.1° | 145.0° |
| H26 | C8 | C9 | H27 | 63.9° | 59.9° |
| H26 | C8 | C9 | H28 | 56.1° | 60.0° |
| H26 | C8 | C9 | H29 | 176.1° | 180.0° |
| H26 | C8 | N3 | H30 | 79.0° | 145.0° |
| H27 | C9 | H28 | H29 | 120.0° | 120.1° |
