A1ESX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C16 | sing | 1.53Å | 1.50Å | |
| C16 | C15 | sing | 1.51Å | 1.53Å | |
| O1 | C15 | doub | 1.21Å | 1.19Å | |
| C15 | N5 | sing | 1.35Å | 1.45Å | |
| N5 | C12 | sing | 1.40Å | 1.44Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | C8 | sing | 1.39Å | 1.36Å | Aromatic |
| C10 | N4 | sing | 1.47Å | 1.46Å | |
| C13 | C14 | doub | 1.37Å | 1.40Å | Aromatic |
| C8 | N4 | sing | 1.38Å | 1.37Å | Aromatic |
| C8 | C9 | doub | 1.40Å | 1.48Å | Aromatic |
| N4 | C7 | sing | 1.36Å | 1.30Å | Aromatic |
| C14 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C9 | C5 | sing | 1.47Å | 1.51Å | Aromatic |
| C7 | C5 | doub | 1.36Å | 1.35Å | Aromatic |
| C22 | O2 | sing | 1.43Å | 1.40Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C5 | C2 | sing | 1.48Å | 1.52Å | |
| O2 | C23 | sing | 1.43Å | 1.41Å | |
| C21 | N8 | sing | 1.47Å | 1.32Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | doub | 1.40Å | 1.38Å | Aromatic |
| C2 | N2 | sing | 1.33Å | 1.32Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| N8 | C24 | sing | 1.47Å | 1.32Å | |
| N8 | C20 | sing | 1.47Å | 1.32Å | |
| N2 | C1 | doub | 1.32Å | 1.33Å | Aromatic |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | N6 | sing | 1.46Å | 1.45Å | |
| C17 | N6 | sing | 1.36Å | 1.40Å | Aromatic |
| C17 | C6 | doub | 1.36Å | 1.39Å | Aromatic |
| C4 | N1 | doub | 1.32Å | 1.32Å | Aromatic |
| N6 | N7 | sing | 1.40Å | 1.37Å | Aromatic |
| C1 | N1 | sing | 1.33Å | 1.33Å | Aromatic |
| C1 | N3 | sing | 1.38Å | 1.45Å | |
| C6 | N3 | sing | 1.41Å | 1.46Å | |
| C6 | C18 | sing | 1.40Å | 1.44Å | Aromatic |
| N7 | C18 | doub | 1.31Å | 1.35Å | Aromatic |
| C18 | C25 | sing | 1.51Å | 1.52Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| N3 | H31 | sing | 0.97Å | 1.00Å | |
| N5 | H32 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C16 | C15 | 113.5° | 109.5° |
| C26 | C16 | H8 | 108.4° | 109.5° |
| C26 | C16 | H9 | 108.4° | 109.5° |
| C16 | C26 | H28 | 109.5° | 109.5° |
| C16 | C26 | H29 | 109.4° | 109.5° |
| C16 | C26 | H30 | 109.4° | 109.5° |
| C16 | C15 | O1 | 121.8° | 120.0° |
| C16 | C15 | N5 | 116.0° | 120.0° |
| C15 | C16 | H8 | 108.5° | 109.5° |
| C15 | C16 | H9 | 108.5° | 109.5° |
| O1 | C15 | N5 | 122.2° | 120.0° |
| C15 | N5 | C12 | 126.8° | 120.0° |
| C15 | N5 | H32 | 116.6° | 120.0° |
| N5 | C12 | C11 | 123.7° | 119.7° |
| N5 | C12 | C13 | 113.9° | 119.8° |
| C12 | N5 | H32 | 116.6° | 120.0° |
| C11 | C12 | C13 | 122.3° | 120.5° |
| C12 | C11 | C8 | 117.8° | 119.7° |
| C12 | C11 | H7 | 121.1° | 120.2° |
| C12 | C13 | C14 | 120.7° | 120.4° |
| C12 | C13 | H6 | 119.6° | 119.8° |
| C11 | C8 | N4 | 136.0° | 133.2° |
| C11 | C8 | C9 | 121.5° | 119.3° |
| C8 | C11 | H7 | 121.1° | 120.1° |
| C10 | N4 | C8 | 119.1° | 124.9° |
| C10 | N4 | C7 | 120.4° | 124.9° |
| N4 | C10 | H3 | 109.5° | 109.5° |
| N4 | C10 | H4 | 109.4° | 109.5° |
| N4 | C10 | H5 | 109.5° | 109.4° |
| C13 | C14 | C9 | 118.2° | 119.8° |
| C14 | C13 | H6 | 119.7° | 119.8° |
| C13 | C14 | H10 | 120.9° | 120.1° |
| N4 | C8 | C9 | 102.5° | 107.4° |
| C8 | N4 | C7 | 120.5° | 110.2° |
| C8 | C9 | C14 | 119.5° | 120.2° |
| C8 | C9 | C5 | 101.3° | 106.0° |
| N4 | C7 | C5 | 103.4° | 109.8° |
| N4 | C7 | H2 | 128.3° | 125.1° |
| C14 | C9 | C5 | 139.2° | 133.9° |
| C9 | C14 | H10 | 120.9° | 120.1° |
| C9 | C5 | C7 | 112.3° | 106.6° |
| C9 | C5 | C2 | 121.7° | 126.7° |
| C7 | C5 | C2 | 126.0° | 126.7° |
| C5 | C7 | H2 | 128.3° | 125.1° |
| O2 | C22 | C21 | 112.9° | 109.2° |
| C22 | O2 | C23 | 112.9° | 113.7° |
| O2 | C22 | H19 | 108.6° | 109.5° |
| O2 | C22 | H20 | 108.6° | 109.5° |
| C22 | C21 | N8 | 115.1° | 109.2° |
| C22 | C21 | H17 | 108.1° | 109.5° |
| C22 | C21 | H18 | 108.1° | 109.5° |
| C21 | C22 | H19 | 108.6° | 109.5° |
| C21 | C22 | H20 | 108.6° | 109.5° |
| C5 | C2 | C3 | 121.2° | 120.5° |
| C5 | C2 | N2 | 118.8° | 120.6° |
| O2 | C23 | C24 | 112.2° | 109.2° |
| O2 | C23 | H21 | 108.8° | 109.5° |
| O2 | C23 | H22 | 108.8° | 109.5° |
| C21 | N8 | C24 | 116.0° | 110.8° |
| C21 | N8 | C20 | 111.1° | 111.0° |
| N8 | C21 | H17 | 108.0° | 109.5° |
| N8 | C21 | H18 | 108.1° | 109.5° |
| C23 | C24 | N8 | 113.0° | 109.3° |
| C24 | C23 | H21 | 108.8° | 109.5° |
| C24 | C23 | H22 | 108.8° | 109.5° |
| C23 | C24 | H23 | 108.6° | 109.5° |
| C23 | C24 | H24 | 108.6° | 109.5° |
| C3 | C2 | N2 | 120.0° | 118.9° |
| C2 | C3 | C4 | 117.5° | 118.4° |
| C2 | C3 | H11 | 121.3° | 120.8° |
| C2 | N2 | C1 | 119.3° | 120.6° |
| C3 | C4 | N1 | 122.2° | 119.3° |
| C3 | C4 | H1 | 118.9° | 120.3° |
| C4 | C3 | H11 | 121.2° | 120.8° |
| C24 | N8 | C20 | 111.8° | 111.0° |
| N8 | C24 | H23 | 108.6° | 109.5° |
| N8 | C24 | H24 | 108.6° | 109.5° |
| N8 | C20 | C19 | 109.4° | 109.5° |
| N8 | C20 | H15 | 109.5° | 109.5° |
| N8 | C20 | H16 | 109.5° | 109.5° |
| N2 | C1 | N1 | 123.6° | 121.7° |
| N2 | C1 | N3 | 118.3° | 119.1° |
| C20 | C19 | N6 | 107.8° | 109.5° |
| C20 | C19 | H13 | 109.9° | 109.4° |
| C20 | C19 | H14 | 109.9° | 109.5° |
| C19 | C20 | H15 | 109.5° | 109.5° |
| C19 | C20 | H16 | 109.5° | 109.4° |
| C19 | N6 | C17 | 126.4° | 126.1° |
| C19 | N6 | N7 | 121.7° | 126.0° |
| N6 | C19 | H13 | 109.9° | 109.4° |
| N6 | C19 | H14 | 109.9° | 109.5° |
| N6 | C17 | C6 | 106.5° | 107.6° |
| C17 | N6 | N7 | 111.9° | 107.9° |
| N6 | C17 | H12 | 126.8° | 126.2° |
| C17 | C6 | N3 | 130.8° | 126.1° |
| C17 | C6 | C18 | 104.8° | 107.8° |
| C6 | C17 | H12 | 126.8° | 126.2° |
| C4 | N1 | C1 | 117.3° | 121.0° |
| N1 | C4 | H1 | 118.9° | 120.4° |
| N6 | N7 | C18 | 105.0° | 108.4° |
| N1 | C1 | N3 | 118.1° | 119.2° |
| C1 | N3 | C6 | 124.2° | 120.0° |
| C1 | N3 | H31 | 117.9° | 120.0° |
| N3 | C6 | C18 | 124.4° | 126.1° |
| C6 | N3 | H31 | 117.9° | 120.0° |
| C6 | C18 | N7 | 111.8° | 108.3° |
| C6 | C18 | C25 | 124.8° | 125.8° |
| N7 | C18 | C25 | 123.4° | 125.9° |
| C18 | C25 | H25 | 109.5° | 109.5° |
| C18 | C25 | H26 | 109.5° | 109.5° |
| C18 | C25 | H27 | 109.4° | 109.5° |
| H3 | C10 | H4 | 109.5° | 109.5° |
| H3 | C10 | H5 | 109.5° | 109.4° |
| H4 | C10 | H5 | 109.5° | 109.5° |
| H8 | C16 | H9 | 109.5° | 109.4° |
| H13 | C19 | H14 | 109.5° | 109.5° |
| H15 | C20 | H16 | 109.5° | 109.5° |
| H17 | C21 | H18 | 109.5° | 109.6° |
| H19 | C22 | H20 | 109.5° | 109.6° |
| H21 | C23 | H22 | 109.4° | 109.5° |
| H23 | C24 | H24 | 109.5° | 109.5° |
| H25 | C25 | H26 | 109.4° | 109.4° |
| H25 | C25 | H27 | 109.5° | 109.4° |
| H26 | C25 | H27 | 109.5° | 109.5° |
| H28 | C26 | H29 | 109.5° | 109.5° |
| H28 | C26 | H30 | 109.5° | 109.5° |
| H29 | C26 | H30 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C16 | C15 | H8 | 120.6° | 120.0° |
| C26 | C16 | C15 | H9 | 120.6° | 120.1° |
| C26 | C16 | C15 | O1 | 53.8° | 0.0° |
| C26 | C16 | C15 | N5 | 127.9° | 180.0° |
| C26 | C16 | H8 | H9 | 118.1° | 120.0° |
| C16 | C26 | H28 | H29 | 120.0° | 120.0° |
| C16 | C26 | H28 | H30 | 120.0° | 120.0° |
| C16 | C26 | H29 | H30 | 120.0° | 120.0° |
| C16 | C15 | O1 | N5 | 178.2° | 179.9° |
| C16 | C15 | N5 | C12 | 176.1° | 174.8° |
| C15 | C16 | H8 | H9 | 118.2° | 120.0° |
| C15 | C16 | C26 | H28 | 180.0° | 60.0° |
| C15 | C16 | C26 | H29 | 60.0° | 60.0° |
| C15 | C16 | C26 | H30 | 60.0° | 180.0° |
| C16 | C15 | N5 | H32 | 3.9° | 5.4° |
| O1 | C15 | N5 | C12 | 2.2° | 5.2° |
| O1 | C15 | C16 | H8 | 66.8° | 120.0° |
| O1 | C15 | C16 | H9 | 174.4° | 120.1° |
| O1 | C15 | N5 | H32 | 177.8° | 174.7° |
| C15 | N5 | C12 | H32 | 180.0° | 179.9° |
| C15 | N5 | C12 | C11 | 33.4° | 33.7° |
| C15 | N5 | C12 | C13 | 144.8° | 146.4° |
| N5 | C15 | C16 | H8 | 111.5° | 59.9° |
| N5 | C15 | C16 | H9 | 7.3° | 60.0° |
| N5 | C12 | C11 | C13 | 178.1° | 179.9° |
| N5 | C12 | C11 | C8 | 178.8° | 180.0° |
| N5 | C12 | C13 | C14 | 179.2° | 180.0° |
| N5 | C12 | C13 | H6 | 0.8° | 0.1° |
| N5 | C12 | C11 | H7 | 1.2° | 0.1° |
| C12 | C11 | C8 | H7 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 1.0° | 0.1° |
| C12 | C11 | C8 | N4 | 179.1° | 180.0° |
| C12 | C11 | C8 | C9 | 0.0° | 0.0° |
| C11 | C12 | C13 | H6 | 179.0° | 180.0° |
| C11 | C12 | N5 | H32 | 146.5° | 146.5° |
| C13 | C12 | C11 | C8 | 0.7° | 0.1° |
| C12 | C13 | C14 | H6 | 180.0° | 180.0° |
| C12 | C13 | C14 | C9 | 0.4° | 0.0° |
| C13 | C12 | C11 | H7 | 179.3° | 180.0° |
| C12 | C13 | C14 | H10 | 179.6° | 179.9° |
| C13 | C12 | N5 | H32 | 35.2° | 33.5° |
| C11 | C8 | N4 | C10 | 0.4° | 0.0° |
| C11 | C8 | N4 | C9 | 179.2° | 180.0° |
| C11 | C8 | N4 | C7 | 179.2° | 180.0° |
| C11 | C8 | C9 | C14 | 0.5° | 0.0° |
| C11 | C8 | C9 | C5 | 179.9° | 179.9° |
| C10 | N4 | C8 | C7 | 179.6° | 180.0° |
| C10 | N4 | C8 | C9 | 179.6° | 180.0° |
| C10 | N4 | C7 | C5 | 179.8° | 179.8° |
| C10 | N4 | C7 | H2 | 0.2° | 0.2° |
| N4 | C10 | H3 | H4 | 120.0° | 120.1° |
| N4 | C10 | H3 | H5 | 120.0° | 120.0° |
| N4 | C10 | H4 | H5 | 120.0° | 120.0° |
| C13 | C14 | C9 | C8 | 0.3° | 0.0° |
| C13 | C14 | C9 | H10 | 180.0° | 179.9° |
| C13 | C14 | C9 | C5 | 179.7° | 179.8° |
| N4 | C8 | C9 | C14 | 179.9° | 180.0° |
| N4 | C8 | C9 | C5 | 0.5° | 0.2° |
| C8 | N4 | C7 | C5 | 0.6° | 0.1° |
| C8 | N4 | C7 | H2 | 179.4° | 179.8° |
| C8 | N4 | C10 | H3 | 180.0° | 90.0° |
| C8 | N4 | C10 | H4 | 60.0° | 149.9° |
| C8 | N4 | C10 | H5 | 60.0° | 30.0° |
| N4 | C8 | C11 | H7 | 0.9° | 0.1° |
| C9 | C8 | N4 | C7 | 0.0° | 0.0° |
| C8 | C9 | C14 | C5 | 179.4° | 179.8° |
| C8 | C9 | C5 | C7 | 0.9° | 0.2° |
| C8 | C9 | C5 | C2 | 179.6° | 180.0° |
| C9 | C8 | C11 | H7 | 180.0° | 179.9° |
| C8 | C9 | C14 | H10 | 179.7° | 179.9° |
| N4 | C7 | C5 | C9 | 0.9° | 0.2° |
| N4 | C7 | C5 | H2 | 180.0° | 179.9° |
| N4 | C7 | C5 | C2 | 179.5° | 180.0° |
| C7 | N4 | C10 | H3 | 0.4° | 90.0° |
| C7 | N4 | C10 | H4 | 119.6° | 30.1° |
| C7 | N4 | C10 | H5 | 120.4° | 150.1° |
| C14 | C9 | C5 | C7 | 179.6° | 179.9° |
| C14 | C9 | C5 | C2 | 0.9° | 0.2° |
| C9 | C14 | C13 | H6 | 179.6° | 180.0° |
| C9 | C5 | C7 | C2 | 178.6° | 179.7° |
| C9 | C5 | C2 | C3 | 29.0° | 179.7° |
| C9 | C5 | C2 | N2 | 150.1° | 0.3° |
| C9 | C5 | C7 | H2 | 179.1° | 179.7° |
| C5 | C9 | C14 | H10 | 0.3° | 0.1° |
| C7 | C5 | C2 | C3 | 152.5° | 0.0° |
| C7 | C5 | C2 | N2 | 28.4° | 180.0° |
| O2 | C22 | C21 | H19 | 120.5° | 119.9° |
| O2 | C22 | C21 | H20 | 120.5° | 119.9° |
| O2 | C22 | C21 | N8 | 54.6° | 56.9° |
| C22 | O2 | C23 | C24 | 29.7° | 58.7° |
| O2 | C22 | C21 | H17 | 66.2° | 63.0° |
| O2 | C22 | C21 | H18 | 175.5° | 176.8° |
| O2 | C22 | H19 | H20 | 118.4° | 120.1° |
| C22 | O2 | C23 | H21 | 150.1° | 61.2° |
| C22 | O2 | C23 | H22 | 90.8° | 178.7° |
| C21 | C22 | O2 | C23 | 20.3° | 58.7° |
| C22 | C21 | N8 | H17 | 120.8° | 119.9° |
| C22 | C21 | N8 | H18 | 120.8° | 119.9° |
| C22 | C21 | N8 | C24 | 26.8° | 58.6° |
| C22 | C21 | N8 | C20 | 155.9° | 177.6° |
| C22 | C21 | H17 | H18 | 117.5° | 120.2° |
| C21 | C22 | H19 | H20 | 118.5° | 120.2° |
| C5 | C2 | C3 | N2 | 179.1° | 179.9° |
| C5 | C2 | C3 | C4 | 179.4° | 180.0° |
| C5 | C2 | N2 | C1 | 179.5° | 180.0° |
| C2 | C5 | C7 | H2 | 0.5° | 0.0° |
| C5 | C2 | C3 | H11 | 0.6° | 0.0° |
| O2 | C23 | C24 | H21 | 120.4° | 119.9° |
| O2 | C23 | C24 | H22 | 120.4° | 120.0° |
| O2 | C23 | C24 | N8 | 58.7° | 56.8° |
| C23 | O2 | C22 | H19 | 140.8° | 178.6° |
| C23 | O2 | C22 | H20 | 100.2° | 61.2° |
| O2 | C23 | H21 | H22 | 118.7° | 120.1° |
| O2 | C23 | C24 | H23 | 61.8° | 176.8° |
| O2 | C23 | C24 | H24 | 179.2° | 63.1° |
| C21 | N8 | C24 | C23 | 26.0° | 58.6° |
| C21 | N8 | C24 | C20 | 128.8° | 123.8° |
| C21 | N8 | C20 | C19 | 57.3° | 170.0° |
| C21 | N8 | C20 | H15 | 177.2° | 50.0° |
| C21 | N8 | C20 | H16 | 62.7° | 70.0° |
| N8 | C21 | H17 | H18 | 117.4° | 120.1° |
| N8 | C21 | C22 | H19 | 175.1° | 176.7° |
| N8 | C21 | C22 | H20 | 65.9° | 63.1° |
| C21 | N8 | C24 | H23 | 94.6° | 178.5° |
| C21 | N8 | C24 | H24 | 146.5° | 61.3° |
| C23 | C24 | N8 | H23 | 120.5° | 119.9° |
| C23 | C24 | N8 | H24 | 120.5° | 119.9° |
| C23 | C24 | N8 | C20 | 102.8° | 177.6° |
| C24 | C23 | H21 | H22 | 118.8° | 120.1° |
| C23 | C24 | H23 | H24 | 118.4° | 120.1° |
| C2 | C3 | C4 | H11 | 180.0° | 180.0° |
| C3 | C2 | N2 | C1 | 0.3° | 0.1° |
| C2 | C3 | C4 | N1 | 0.3° | 0.0° |
| C2 | C3 | C4 | H1 | 179.8° | 180.0° |
| N2 | C2 | C3 | C4 | 0.3° | 0.0° |
| C2 | N2 | C1 | N1 | 0.5° | 0.0° |
| C2 | N2 | C1 | N3 | 179.8° | 179.9° |
| N2 | C2 | C3 | H11 | 179.8° | 179.9° |
| C3 | C4 | N1 | H1 | 180.0° | 179.9° |
| C3 | C4 | N1 | C1 | 0.4° | 0.1° |
| C24 | N8 | C20 | C19 | 171.4° | 66.3° |
| C24 | N8 | C20 | H15 | 51.4° | 173.7° |
| C24 | N8 | C20 | H16 | 68.6° | 53.6° |
| C24 | N8 | C21 | H17 | 94.0° | 61.3° |
| C24 | N8 | C21 | H18 | 147.6° | 178.6° |
| N8 | C24 | C23 | H21 | 179.1° | 63.1° |
| N8 | C24 | C23 | H22 | 61.7° | 176.8° |
| N8 | C24 | H23 | H24 | 118.4° | 120.1° |
| N8 | C20 | C19 | H15 | 120.0° | 120.1° |
| N8 | C20 | C19 | H16 | 120.0° | 120.0° |
| N8 | C20 | C19 | N6 | 160.6° | 180.0° |
| N8 | C20 | C19 | H13 | 79.7° | 60.1° |
| N8 | C20 | C19 | H14 | 40.9° | 60.0° |
| N8 | C20 | H15 | H16 | 120.0° | 120.0° |
| C20 | N8 | C21 | H17 | 35.1° | 62.5° |
| C20 | N8 | C21 | H18 | 83.2° | 57.6° |
| C20 | N8 | C24 | H23 | 136.7° | 57.7° |
| C20 | N8 | C24 | H24 | 17.7° | 62.5° |
| N2 | C1 | N1 | C4 | 0.5° | 0.1° |
| N2 | C1 | N1 | N3 | 179.7° | 180.0° |
| N2 | C1 | N3 | C6 | 5.6° | 180.0° |
| N2 | C1 | N3 | H31 | 174.4° | 0.1° |
| C20 | C19 | N6 | H13 | 119.7° | 119.9° |
| C20 | C19 | N6 | H14 | 119.8° | 120.1° |
| C20 | C19 | N6 | C17 | 124.0° | 125.0° |
| C20 | C19 | N6 | N7 | 55.5° | 54.8° |
| C20 | C19 | H13 | H14 | 120.8° | 120.0° |
| C19 | C20 | H15 | H16 | 120.0° | 119.9° |
| C19 | N6 | C17 | N7 | 179.5° | 179.8° |
| C19 | N6 | C17 | C6 | 179.9° | 180.0° |
| C19 | N6 | N7 | C18 | 180.0° | 179.8° |
| C19 | N6 | C17 | H12 | 0.1° | 0.0° |
| N6 | C19 | H13 | H14 | 120.7° | 120.0° |
| N6 | C19 | C20 | H15 | 40.6° | 59.9° |
| N6 | C19 | C20 | H16 | 79.4° | 60.0° |
| N6 | C17 | C6 | H12 | 180.0° | 180.0° |
| N6 | C17 | C6 | N3 | 179.8° | 180.0° |
| N6 | C17 | C6 | C18 | 0.2° | 0.3° |
| C17 | N6 | N7 | C18 | 0.4° | 0.0° |
| C17 | N6 | C19 | H13 | 4.2° | 5.0° |
| C17 | N6 | C19 | H14 | 116.3° | 115.0° |
| C6 | C17 | N6 | N7 | 0.4° | 0.2° |
| C17 | C6 | N3 | C1 | 6.2° | 0.3° |
| C17 | C6 | N3 | C18 | 180.0° | 179.7° |
| C17 | C6 | C18 | N7 | 0.0° | 0.2° |
| C17 | C6 | C18 | C25 | 179.5° | 179.8° |
| C17 | C6 | N3 | H31 | 173.8° | 179.7° |
| C4 | N1 | C1 | N3 | 179.8° | 180.0° |
| N1 | C4 | C3 | H11 | 179.7° | 180.0° |
| N6 | N7 | C18 | C6 | 0.3° | 0.1° |
| N6 | N7 | C18 | C25 | 179.7° | 179.9° |
| N7 | N6 | C17 | H12 | 179.6° | 179.8° |
| N7 | N6 | C19 | H13 | 175.2° | 174.7° |
| N7 | N6 | C19 | H14 | 64.3° | 65.3° |
| N1 | C1 | N3 | C6 | 174.6° | 0.1° |
| C1 | N1 | C4 | H1 | 179.7° | 180.0° |
| N1 | C1 | N3 | H31 | 5.4° | 180.0° |
| C1 | N3 | C6 | H31 | 180.0° | 179.9° |
| C1 | N3 | C6 | C18 | 173.8° | 180.0° |
| N3 | C6 | C18 | N7 | 179.9° | 180.0° |
| N3 | C6 | C18 | C25 | 0.5° | 0.0° |
| N3 | C6 | C17 | H12 | 0.2° | 0.1° |
| C6 | C18 | N7 | C25 | 179.4° | 180.0° |
| C18 | C6 | C17 | H12 | 179.8° | 179.7° |
| C6 | C18 | C25 | H25 | 179.4° | 90.0° |
| C6 | C18 | C25 | H26 | 59.4° | 150.0° |
| C6 | C18 | C25 | H27 | 60.6° | 30.0° |
| C18 | C6 | N3 | H31 | 6.2° | 0.1° |
| N7 | C18 | C25 | H25 | 0.0° | 90.0° |
| N7 | C18 | C25 | H26 | 120.0° | 30.0° |
| N7 | C18 | C25 | H27 | 120.0° | 150.1° |
| C18 | C25 | H25 | H26 | 120.0° | 120.0° |
| C18 | C25 | H25 | H27 | 120.0° | 120.0° |
| C18 | C25 | H26 | H27 | 120.0° | 120.1° |
| H1 | C4 | C3 | H11 | 0.2° | 0.1° |
| H3 | C10 | H4 | H5 | 120.0° | 120.0° |
| H6 | C13 | C14 | H10 | 0.4° | 0.1° |
| H8 | C16 | C26 | H28 | 59.4° | 180.0° |
| H8 | C16 | C26 | H29 | 60.6° | 60.0° |
| H8 | C16 | C26 | H30 | 179.4° | 60.0° |
| H9 | C16 | C26 | H28 | 59.4° | 60.0° |
| H9 | C16 | C26 | H29 | 179.4° | 179.9° |
| H9 | C16 | C26 | H30 | 60.6° | 60.0° |
| H13 | C19 | C20 | H15 | 160.4° | 60.0° |
| H13 | C19 | C20 | H16 | 40.3° | 180.0° |
| H14 | C19 | C20 | H15 | 79.1° | 180.0° |
| H14 | C19 | C20 | H16 | 160.9° | 60.0° |
| H17 | C21 | C22 | H19 | 54.3° | 56.8° |
| H17 | C21 | C22 | H20 | 173.3° | 177.0° |
| H18 | C21 | C22 | H19 | 64.1° | 63.3° |
| H18 | C21 | C22 | H20 | 54.9° | 56.9° |
| H21 | C23 | C24 | H23 | 58.6° | 56.9° |
| H21 | C23 | C24 | H24 | 60.3° | 177.0° |
| H22 | C23 | C24 | H23 | 177.8° | 63.3° |
| H22 | C23 | C24 | H24 | 58.8° | 56.8° |
| H25 | C25 | H26 | H27 | 120.0° | 119.9° |
| H28 | C26 | H29 | H30 | 120.1° | 120.0° |
