A1D50
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| O2 | C10 | doub | 1.22Å | 1.23Å | |
| C7 | C6 | sing | 1.37Å | 1.37Å | Aromatic |
| C9 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C1 | C5 | sing | 1.41Å | 1.41Å | Aromatic |
| C1 | N1 | sing | 1.38Å | 1.38Å | |
| C5 | C4 | sing | 1.47Å | 1.42Å | |
| N1 | C2 | sing | 1.34Å | 1.36Å | |
| C4 | C10 | sing | 1.48Å | 1.51Å | |
| C4 | C3 | doub | 1.37Å | 1.37Å | |
| C2 | C3 | sing | 1.46Å | 1.44Å | |
| C2 | O1 | doub | 1.22Å | 1.25Å | |
| C10 | N2 | sing | 1.35Å | 1.34Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| N2 | C11 | sing | 1.47Å | 1.46Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C11 | C16 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| C24 | N5 | sing | 1.47Å | 1.47Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C16 | N3 | sing | 1.47Å | 1.46Å | |
| C25 | O4 | sing | 1.43Å | 1.42Å | |
| O3 | C23 | doub | 1.22Å | 1.23Å | |
| O4 | C26 | sing | 1.43Å | 1.43Å | |
| N3 | C17 | sing | 1.39Å | 1.37Å | |
| N5 | C23 | sing | 1.35Å | 1.34Å | |
| N5 | C27 | sing | 1.47Å | 1.47Å | |
| C23 | C22 | sing | 1.48Å | 1.50Å | |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| O6 | N4 | sing | 1.22Å | 1.22Å | |
| C17 | C22 | doub | 1.40Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| C22 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| N4 | C18 | sing | 1.48Å | 1.44Å | |
| N4 | O5 | doub | 1.22Å | 1.22Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.36Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.37Å | Aromatic |
| C20 | BR1 | sing | 1.89Å | 1.90Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 1.01Å | 1.00Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C3 | H26 | sing | 1.08Å | 1.08Å | |
| C9 | H27 | sing | 1.08Å | 1.08Å | |
| N2 | H28 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C8 | C9 | 121.0° | 120.7° |
| C8 | C7 | C6 | 120.3° | 120.5° |
| C8 | C7 | H4 | 119.8° | 119.7° |
| C7 | C8 | H5 | 119.5° | 119.7° |
| C8 | C9 | C1 | 119.1° | 119.8° |
| C9 | C8 | H5 | 119.5° | 119.7° |
| C8 | C9 | H27 | 120.4° | 120.1° |
| O2 | C10 | C4 | 122.4° | 120.0° |
| O2 | C10 | N2 | 122.6° | 120.0° |
| C7 | C6 | C5 | 120.7° | 119.8° |
| C7 | C6 | H3 | 119.7° | 120.0° |
| C6 | C7 | H4 | 119.9° | 119.8° |
| C9 | C1 | C5 | 120.7° | 119.3° |
| C9 | C1 | N1 | 120.7° | 120.4° |
| C1 | C9 | H27 | 120.4° | 120.1° |
| C6 | C5 | C1 | 118.2° | 119.9° |
| C6 | C5 | C4 | 122.8° | 120.7° |
| C5 | C6 | H3 | 119.7° | 120.1° |
| C5 | C1 | N1 | 118.6° | 120.2° |
| C1 | C5 | C4 | 119.0° | 119.4° |
| C1 | N1 | C2 | 124.8° | 121.3° |
| C1 | N1 | H1 | 117.6° | 119.3° |
| C5 | C4 | C10 | 121.6° | 120.7° |
| C5 | C4 | C3 | 119.8° | 118.6° |
| N1 | C2 | C3 | 116.2° | 121.0° |
| N1 | C2 | O1 | 120.6° | 119.5° |
| C2 | N1 | H1 | 117.6° | 119.3° |
| C10 | C4 | C3 | 118.5° | 120.7° |
| C4 | C10 | N2 | 115.0° | 120.0° |
| C4 | C3 | C2 | 121.5° | 119.4° |
| C4 | C3 | H26 | 119.2° | 120.3° |
| C3 | C2 | O1 | 123.1° | 119.5° |
| C2 | C3 | H26 | 119.3° | 120.3° |
| C10 | N2 | C11 | 122.6° | 120.0° |
| C10 | N2 | H28 | 118.7° | 120.0° |
| C13 | C12 | C11 | 111.2° | 109.5° |
| C12 | C13 | C14 | 110.7° | 109.4° |
| C12 | C13 | H6 | 109.2° | 109.5° |
| C12 | C13 | H7 | 109.2° | 109.5° |
| C13 | C12 | H16 | 109.1° | 109.5° |
| C13 | C12 | H17 | 109.0° | 109.5° |
| C12 | C11 | N2 | 111.9° | 109.5° |
| C12 | C11 | C16 | 113.4° | 109.5° |
| C12 | C11 | H15 | 106.6° | 109.5° |
| C11 | C12 | H16 | 109.0° | 109.5° |
| C11 | C12 | H17 | 109.0° | 109.5° |
| N2 | C11 | C16 | 110.6° | 109.5° |
| N2 | C11 | H15 | 107.4° | 109.4° |
| C11 | N2 | H28 | 118.7° | 119.9° |
| C13 | C14 | C15 | 110.9° | 109.5° |
| C14 | C13 | H6 | 109.2° | 109.5° |
| C14 | C13 | H7 | 109.2° | 109.5° |
| C13 | C14 | H18 | 109.1° | 109.5° |
| C13 | C14 | H19 | 109.1° | 109.5° |
| C11 | C16 | C15 | 110.7° | 109.4° |
| C11 | C16 | N3 | 113.4° | 109.5° |
| C16 | C11 | H15 | 106.5° | 109.5° |
| C11 | C16 | H20 | 106.4° | 109.5° |
| C25 | C24 | N5 | 109.6° | 108.4° |
| C24 | C25 | O4 | 112.1° | 109.2° |
| C25 | C24 | H11 | 109.4° | 109.7° |
| C25 | C24 | H12 | 109.4° | 109.7° |
| C24 | C25 | H22 | 108.8° | 109.5° |
| C24 | C25 | H23 | 108.8° | 109.5° |
| C24 | N5 | C23 | 118.7° | 120.9° |
| C24 | N5 | C27 | 113.0° | 118.0° |
| N5 | C24 | H11 | 109.5° | 109.7° |
| N5 | C24 | H12 | 109.4° | 109.7° |
| C14 | C15 | C16 | 110.2° | 109.5° |
| C14 | C15 | H8 | 109.3° | 109.5° |
| C14 | C15 | H9 | 109.3° | 109.5° |
| C15 | C14 | H18 | 109.1° | 109.5° |
| C15 | C14 | H19 | 109.1° | 109.5° |
| C15 | C16 | N3 | 112.3° | 109.4° |
| C16 | C15 | H8 | 109.3° | 109.5° |
| C16 | C15 | H9 | 109.3° | 109.5° |
| C15 | C16 | H20 | 106.4° | 109.5° |
| C16 | N3 | C17 | 122.6° | 111.0° |
| C16 | N3 | H2 | 106.1° | 111.0° |
| N3 | C16 | H20 | 107.2° | 109.5° |
| C25 | O4 | C26 | 111.8° | 114.1° |
| O4 | C25 | H22 | 108.8° | 109.5° |
| O4 | C25 | H23 | 108.8° | 109.5° |
| O3 | C23 | N5 | 121.4° | 120.1° |
| O3 | C23 | C22 | 117.6° | 120.0° |
| O4 | C26 | C27 | 112.9° | 109.3° |
| O4 | C26 | H13 | 108.6° | 109.5° |
| O4 | C26 | H14 | 108.6° | 109.6° |
| N3 | C17 | C22 | 121.2° | 120.2° |
| N3 | C17 | C18 | 120.0° | 120.1° |
| C17 | N3 | H2 | 106.1° | 111.0° |
| C23 | N5 | C27 | 128.3° | 121.0° |
| N5 | C23 | C22 | 121.0° | 120.0° |
| N5 | C27 | C26 | 109.2° | 108.3° |
| N5 | C27 | H24 | 109.5° | 109.6° |
| N5 | C27 | H25 | 109.5° | 109.7° |
| C23 | C22 | C17 | 121.9° | 120.2° |
| C23 | C22 | C21 | 118.7° | 120.2° |
| C27 | C26 | H13 | 108.6° | 109.5° |
| C27 | C26 | H14 | 108.6° | 109.6° |
| C26 | C27 | H24 | 109.5° | 109.7° |
| C26 | C27 | H25 | 109.6° | 109.7° |
| O6 | N4 | C18 | 118.3° | 120.0° |
| O6 | N4 | O5 | 123.5° | 120.0° |
| C22 | C17 | C18 | 118.7° | 119.7° |
| C17 | C22 | C21 | 119.3° | 119.6° |
| C17 | C18 | N4 | 122.1° | 120.0° |
| C17 | C18 | C19 | 120.7° | 120.0° |
| C22 | C21 | C20 | 120.0° | 119.9° |
| C22 | C21 | H10 | 120.0° | 120.0° |
| C18 | N4 | O5 | 118.0° | 120.0° |
| N4 | C18 | C19 | 117.1° | 120.0° |
| C18 | C19 | C20 | 118.8° | 120.4° |
| C18 | C19 | H21 | 120.6° | 119.8° |
| C21 | C20 | C19 | 122.4° | 120.3° |
| C21 | C20 | BR1 | 119.5° | 119.9° |
| C20 | C21 | H10 | 120.0° | 120.0° |
| C19 | C20 | BR1 | 118.1° | 119.8° |
| C20 | C19 | H21 | 120.6° | 119.8° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.5° | 109.4° |
| H11 | C24 | H12 | 109.5° | 109.8° |
| H13 | C26 | H14 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.4° |
| H18 | C14 | H19 | 109.5° | 109.4° |
| H22 | C25 | H23 | 109.5° | 109.6° |
| H24 | C27 | H25 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C8 | C9 | H5 | 180.0° | 178.7° |
| C8 | C7 | C6 | H4 | 180.0° | 179.0° |
| C7 | C8 | C9 | C1 | 0.1° | 0.8° |
| C8 | C7 | C6 | C5 | 0.2° | 1.0° |
| C8 | C7 | C6 | H3 | 179.7° | 179.0° |
| C7 | C8 | C9 | H27 | 179.9° | 179.2° |
| C9 | C8 | C7 | C6 | 0.2° | 1.3° |
| C8 | C9 | C1 | H27 | 180.0° | 180.0° |
| C8 | C9 | C1 | C5 | 0.1° | 0.0° |
| C8 | C9 | C1 | N1 | 179.5° | 180.0° |
| C9 | C8 | C7 | H4 | 179.8° | 179.7° |
| O2 | C10 | C4 | C5 | 68.7° | 6.0° |
| O2 | C10 | C4 | N2 | 179.1° | 180.0° |
| O2 | C10 | C4 | C3 | 115.5° | 173.4° |
| O2 | C10 | N2 | C11 | 11.7° | 5.0° |
| O2 | C10 | N2 | H28 | 168.3° | 174.9° |
| C7 | C6 | C5 | H3 | 180.0° | 180.0° |
| C7 | C6 | C5 | C1 | 0.2° | 0.2° |
| C7 | C6 | C5 | C4 | 178.7° | 180.0° |
| C6 | C7 | C8 | H5 | 179.8° | 179.9° |
| C9 | C1 | C5 | C6 | 0.1° | 0.3° |
| C9 | C1 | C5 | N1 | 179.5° | 180.0° |
| C9 | C1 | C5 | C4 | 178.9° | 179.5° |
| C9 | C1 | N1 | C2 | 179.7° | 180.0° |
| C9 | C1 | N1 | H1 | 0.3° | 0.3° |
| C1 | C9 | C8 | H5 | 179.9° | 179.4° |
| C6 | C5 | C1 | C4 | 179.0° | 179.8° |
| C6 | C5 | C1 | N1 | 179.6° | 179.7° |
| C6 | C5 | C4 | C10 | 3.2° | 0.0° |
| C6 | C5 | C4 | C3 | 179.0° | 179.5° |
| C5 | C6 | C7 | H4 | 179.8° | 180.0° |
| C5 | C1 | N1 | C2 | 0.2° | 0.0° |
| C1 | C5 | C4 | C10 | 177.8° | 179.8° |
| C1 | C5 | C4 | C3 | 2.1° | 0.8° |
| C5 | C1 | N1 | H1 | 179.8° | 179.7° |
| C1 | C5 | C6 | H3 | 179.8° | 179.8° |
| C5 | C1 | C9 | H27 | 179.9° | 180.0° |
| N1 | C1 | C5 | C4 | 0.6° | 0.5° |
| C1 | N1 | C2 | H1 | 180.0° | 179.7° |
| C1 | N1 | C2 | C3 | 0.4° | 0.3° |
| C1 | N1 | C2 | O1 | 179.1° | 179.7° |
| N1 | C1 | C9 | H27 | 0.5° | 0.0° |
| C5 | C4 | C10 | C3 | 175.8° | 179.5° |
| C5 | C4 | C3 | C2 | 2.8° | 0.5° |
| C5 | C4 | C10 | N2 | 110.3° | 174.0° |
| C4 | C5 | C6 | H3 | 1.3° | 0.0° |
| C5 | C4 | C3 | H26 | 177.3° | 180.0° |
| N1 | C2 | C3 | C4 | 1.9° | 0.0° |
| N1 | C2 | C3 | O1 | 178.7° | 180.0° |
| N1 | C2 | C3 | H26 | 178.1° | 179.5° |
| C10 | C4 | C3 | C2 | 178.6° | 180.0° |
| C4 | C10 | N2 | C11 | 167.3° | 175.0° |
| C10 | C4 | C3 | H26 | 1.4° | 0.6° |
| C4 | C10 | N2 | H28 | 12.7° | 5.1° |
| C4 | C3 | C2 | H26 | 180.0° | 179.4° |
| C4 | C3 | C2 | O1 | 179.4° | 180.0° |
| C3 | C4 | C10 | N2 | 65.4° | 6.6° |
| C3 | C2 | N1 | H1 | 179.6° | 180.0° |
| O1 | C2 | N1 | H1 | 0.9° | 0.0° |
| O1 | C2 | C3 | H26 | 0.6° | 0.5° |
| C10 | N2 | C11 | C12 | 77.1° | 85.0° |
| C10 | N2 | C11 | H28 | 180.0° | 179.9° |
| C10 | N2 | C11 | C16 | 155.4° | 155.0° |
| C10 | N2 | C11 | H15 | 39.5° | 35.0° |
| C13 | C12 | C11 | H16 | 120.3° | 120.0° |
| C13 | C12 | C11 | H17 | 120.2° | 120.0° |
| C13 | C12 | C11 | N2 | 177.4° | 60.0° |
| C12 | C13 | C14 | H6 | 120.2° | 120.0° |
| C12 | C13 | C14 | H7 | 120.2° | 120.0° |
| C13 | C12 | C11 | C16 | 51.4° | 60.0° |
| C12 | C13 | C14 | C15 | 59.1° | 60.0° |
| C12 | C13 | H6 | H7 | 119.5° | 120.0° |
| C13 | C12 | C11 | H15 | 65.6° | 180.0° |
| C13 | C12 | H16 | H17 | 119.2° | 120.0° |
| C12 | C13 | C14 | H18 | 179.4° | 60.0° |
| C12 | C13 | C14 | H19 | 61.1° | 180.0° |
| C12 | C11 | N2 | C16 | 127.5° | 120.0° |
| C12 | C11 | N2 | H15 | 116.6° | 120.0° |
| C11 | C12 | C13 | C14 | 54.2° | 60.0° |
| C12 | C11 | C16 | H15 | 117.0° | 120.0° |
| C12 | C11 | C16 | C15 | 52.0° | 60.0° |
| C12 | C11 | C16 | N3 | 75.2° | 180.0° |
| C11 | C12 | C13 | H6 | 66.0° | 180.0° |
| C11 | C12 | C13 | H7 | 174.4° | 60.0° |
| C11 | C12 | H16 | H17 | 119.2° | 120.0° |
| C12 | C11 | C16 | H20 | 167.3° | 60.0° |
| C12 | C11 | N2 | H28 | 102.9° | 95.0° |
| N2 | C11 | C16 | H15 | 116.4° | 120.0° |
| N2 | C11 | C16 | C15 | 178.7° | 60.0° |
| N2 | C11 | C16 | N3 | 51.5° | 59.9° |
| N2 | C11 | C12 | H16 | 57.1° | 60.0° |
| N2 | C11 | C12 | H17 | 62.4° | 179.9° |
| N2 | C11 | C16 | H20 | 66.1° | 180.0° |
| C13 | C14 | C15 | H18 | 120.2° | 120.0° |
| C13 | C14 | C15 | H19 | 120.2° | 120.0° |
| C13 | C14 | C15 | C16 | 59.9° | 60.0° |
| C14 | C13 | H6 | H7 | 119.4° | 120.0° |
| C13 | C14 | C15 | H8 | 60.2° | 180.0° |
| C13 | C14 | C15 | H9 | 180.0° | 60.0° |
| C14 | C13 | C12 | H16 | 66.1° | 180.0° |
| C14 | C13 | C12 | H17 | 174.5° | 60.0° |
| C13 | C14 | H18 | H19 | 119.3° | 120.0° |
| C11 | C16 | C15 | C14 | 55.3° | 60.0° |
| C11 | C16 | C15 | N3 | 127.8° | 120.0° |
| C11 | C16 | C15 | H20 | 115.2° | 120.0° |
| C11 | C16 | N3 | H20 | 117.1° | 120.0° |
| C11 | C16 | N3 | C17 | 153.9° | 156.5° |
| C11 | C16 | N3 | H2 | 84.3° | 79.5° |
| C11 | C16 | C15 | H8 | 64.8° | 180.0° |
| C11 | C16 | C15 | H9 | 175.4° | 60.0° |
| C16 | C11 | C12 | H16 | 68.9° | 179.9° |
| C16 | C11 | C12 | H17 | 171.6° | 60.0° |
| C16 | C11 | N2 | H28 | 24.6° | 25.1° |
| C25 | C24 | N5 | H11 | 120.0° | 119.7° |
| C25 | C24 | N5 | H12 | 120.0° | 119.7° |
| C24 | C25 | O4 | H22 | 120.4° | 119.9° |
| C24 | C25 | O4 | H23 | 120.4° | 119.9° |
| C24 | C25 | O4 | C26 | 41.3° | 62.6° |
| C25 | C24 | N5 | C23 | 161.8° | 129.4° |
| C25 | C24 | N5 | C27 | 19.0° | 50.6° |
| C25 | C24 | H11 | H12 | 119.9° | 120.5° |
| C24 | C25 | H22 | H23 | 118.7° | 120.1° |
| N5 | C24 | C25 | O4 | 63.7° | 52.3° |
| C24 | N5 | C23 | O3 | 7.3° | 5.3° |
| C24 | N5 | C23 | C27 | 179.1° | 180.0° |
| C24 | N5 | C23 | C22 | 171.4° | 174.7° |
| C24 | N5 | C27 | C26 | 38.6° | 50.6° |
| N5 | C24 | H11 | H12 | 119.9° | 120.6° |
| N5 | C24 | C25 | H22 | 56.7° | 67.6° |
| N5 | C24 | C25 | H23 | 175.9° | 172.2° |
| C24 | N5 | C27 | H24 | 158.5° | 170.2° |
| C24 | N5 | C27 | H25 | 81.4° | 69.2° |
| C14 | C15 | C16 | H8 | 120.1° | 120.0° |
| C14 | C15 | C16 | H9 | 120.1° | 120.1° |
| C14 | C15 | C16 | N3 | 72.5° | 180.0° |
| C15 | C14 | C13 | H6 | 61.0° | 180.0° |
| C15 | C14 | C13 | H7 | 179.3° | 60.0° |
| C14 | C15 | H8 | H9 | 119.6° | 120.0° |
| C15 | C14 | H18 | H19 | 119.3° | 120.0° |
| C14 | C15 | C16 | H20 | 170.5° | 60.0° |
| C15 | C16 | N3 | H20 | 116.5° | 120.0° |
| C15 | C16 | N3 | C17 | 79.7° | 83.5° |
| C15 | C16 | N3 | H2 | 42.1° | 40.4° |
| C16 | C15 | H8 | H9 | 119.7° | 120.0° |
| C15 | C16 | C11 | H15 | 64.9° | 180.0° |
| C16 | C15 | C14 | H18 | 179.9° | 60.0° |
| C16 | C15 | C14 | H19 | 60.4° | 180.0° |
| C16 | N3 | C17 | H2 | 121.8° | 124.0° |
| C16 | N3 | C17 | C22 | 67.3° | 94.7° |
| C16 | N3 | C17 | C18 | 109.9° | 85.6° |
| N3 | C16 | C15 | H8 | 167.4° | 60.0° |
| N3 | C16 | C15 | H9 | 47.6° | 59.9° |
| N3 | C16 | C11 | H15 | 167.9° | 60.0° |
| C25 | O4 | C26 | C27 | 19.9° | 62.6° |
| O4 | C25 | C24 | H11 | 56.3° | 67.4° |
| O4 | C25 | C24 | H12 | 176.3° | 172.0° |
| C25 | O4 | C26 | H13 | 140.4° | 177.5° |
| C25 | O4 | C26 | H14 | 100.6° | 57.4° |
| O4 | C25 | H22 | H23 | 118.8° | 120.1° |
| O3 | C23 | N5 | C22 | 178.7° | 179.9° |
| O3 | C23 | N5 | C27 | 173.6° | 174.7° |
| O3 | C23 | C22 | C17 | 55.6° | 53.2° |
| O3 | C23 | C22 | C21 | 120.4° | 126.8° |
| O4 | C26 | C27 | N5 | 62.5° | 52.4° |
| O4 | C26 | C27 | H13 | 120.5° | 119.9° |
| O4 | C26 | C27 | H14 | 120.5° | 120.0° |
| O4 | C26 | H13 | H14 | 118.4° | 120.1° |
| C26 | O4 | C25 | H22 | 79.0° | 57.4° |
| C26 | O4 | C25 | H23 | 161.7° | 177.5° |
| O4 | C26 | C27 | H24 | 177.5° | 172.0° |
| O4 | C26 | C27 | H25 | 57.4° | 67.4° |
| N3 | C17 | C22 | C23 | 4.9° | 0.0° |
| N3 | C17 | C22 | C18 | 177.2° | 179.8° |
| N3 | C17 | C22 | C21 | 179.2° | 180.0° |
| N3 | C17 | C18 | N4 | 2.9° | 0.1° |
| N3 | C17 | C18 | C19 | 178.6° | 180.0° |
| C17 | N3 | C16 | H20 | 36.8° | 36.5° |
| C23 | N5 | C27 | C26 | 140.6° | 129.4° |
| N5 | C23 | C22 | C17 | 123.1° | 126.7° |
| N5 | C23 | C22 | C21 | 60.9° | 53.3° |
| C23 | N5 | C24 | H11 | 78.2° | 110.8° |
| C23 | N5 | C24 | H12 | 41.7° | 9.8° |
| C23 | N5 | C27 | H24 | 20.7° | 9.8° |
| C23 | N5 | C27 | H25 | 99.4° | 110.8° |
| C27 | N5 | C23 | C22 | 7.8° | 5.2° |
| N5 | C27 | C26 | H24 | 120.0° | 119.6° |
| N5 | C27 | C26 | H25 | 120.0° | 119.7° |
| C27 | N5 | C24 | H11 | 101.0° | 69.1° |
| C27 | N5 | C24 | H12 | 139.0° | 170.3° |
| N5 | C27 | C26 | H13 | 177.0° | 172.2° |
| N5 | C27 | C26 | H14 | 58.0° | 67.7° |
| N5 | C27 | H24 | H25 | 120.1° | 120.5° |
| C23 | C22 | C17 | C21 | 176.0° | 180.0° |
| C23 | C22 | C17 | C18 | 177.9° | 179.7° |
| C23 | C22 | C21 | C20 | 178.0° | 179.9° |
| C23 | C22 | C21 | H10 | 2.0° | 0.1° |
| C27 | C26 | H13 | H14 | 118.4° | 120.1° |
| C26 | C27 | H24 | H25 | 120.1° | 120.6° |
| O6 | N4 | C18 | C17 | 13.9° | 4.7° |
| O6 | N4 | C18 | O5 | 175.0° | 180.0° |
| O6 | N4 | C18 | C19 | 164.6° | 175.4° |
| C22 | C17 | C18 | N4 | 179.8° | 179.7° |
| C22 | C17 | C18 | C19 | 1.3° | 0.2° |
| C17 | C22 | C21 | C20 | 1.9° | 0.1° |
| C22 | C17 | N3 | H2 | 170.9° | 29.3° |
| C17 | C22 | C21 | H10 | 178.1° | 180.0° |
| C18 | C17 | C22 | C21 | 2.0° | 0.2° |
| C17 | C18 | N4 | C19 | 178.6° | 179.9° |
| C17 | C18 | N4 | O5 | 171.1° | 175.3° |
| C17 | C18 | C19 | C20 | 0.6° | 0.1° |
| C18 | C17 | N3 | H2 | 11.9° | 150.4° |
| C17 | C18 | C19 | H21 | 179.4° | 180.0° |
| C22 | C21 | C20 | H10 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 1.2° | 0.4° |
| C22 | C21 | C20 | BR1 | 178.9° | 180.0° |
| N4 | C18 | C19 | C20 | 179.2° | 180.0° |
| N4 | C18 | C19 | H21 | 0.8° | 0.0° |
| O5 | N4 | C18 | C19 | 10.3° | 4.6° |
| C18 | C19 | C20 | C21 | 0.5° | 0.4° |
| C18 | C19 | C20 | H21 | 180.0° | 180.0° |
| C18 | C19 | C20 | BR1 | 179.6° | 180.0° |
| C21 | C20 | C19 | BR1 | 179.9° | 179.6° |
| C21 | C20 | C19 | H21 | 179.5° | 179.6° |
| C19 | C20 | C21 | H10 | 178.9° | 179.7° |
| BR1 | C20 | C21 | H10 | 1.0° | 0.1° |
| BR1 | C20 | C19 | H21 | 0.4° | 0.0° |
| H2 | N3 | C16 | H20 | 158.6° | 160.5° |
| H3 | C6 | C7 | H4 | 0.2° | 0.0° |
| H4 | C7 | C8 | H5 | 0.2° | 1.0° |
| H5 | C8 | C9 | H27 | 0.1° | 0.6° |
| H6 | C13 | C12 | H16 | 173.8° | 60.0° |
| H6 | C13 | C12 | H17 | 54.3° | 60.0° |
| H6 | C13 | C14 | H18 | 59.2° | 59.9° |
| H6 | C13 | C14 | H19 | 178.7° | 60.0° |
| H7 | C13 | C12 | H16 | 54.1° | 60.0° |
| H7 | C13 | C12 | H17 | 65.4° | 180.0° |
| H7 | C13 | C14 | H18 | 60.4° | 180.0° |
| H7 | C13 | C14 | H19 | 59.1° | 60.1° |
| H8 | C15 | C14 | H18 | 60.0° | 60.0° |
| H8 | C15 | C14 | H19 | 179.5° | 60.0° |
| H8 | C15 | C16 | H20 | 50.4° | 60.0° |
| H9 | C15 | C14 | H18 | 59.8° | 180.0° |
| H9 | C15 | C14 | H19 | 59.8° | 60.0° |
| H9 | C15 | C16 | H20 | 69.4° | 180.0° |
| H11 | C24 | C25 | H22 | 176.7° | 172.7° |
| H11 | C24 | C25 | H23 | 64.1° | 52.5° |
| H12 | C24 | C25 | H22 | 63.3° | 52.1° |
| H12 | C24 | C25 | H23 | 55.9° | 68.1° |
| H13 | C26 | C27 | H24 | 57.0° | 68.1° |
| H13 | C26 | C27 | H25 | 63.1° | 52.5° |
| H14 | C26 | C27 | H24 | 62.0° | 52.0° |
| H14 | C26 | C27 | H25 | 177.9° | 172.6° |
| H15 | C11 | C12 | H16 | 174.2° | 59.9° |
| H15 | C11 | C12 | H17 | 54.7° | 60.0° |
| H15 | C11 | C16 | H20 | 50.3° | 60.0° |
| H15 | C11 | N2 | H28 | 140.5° | 145.1° |
