A1BLO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C25 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.53Å | 1.50Å | |
| C22 | O4 | sing | 1.43Å | 1.42Å | |
| O4 | C14 | sing | 1.36Å | 1.37Å | |
| C26 | C29 | sing | 1.53Å | 1.53Å | |
| C23 | C10 | sing | 1.51Å | 1.51Å | |
| C23 | N3 | sing | 1.47Å | 1.46Å | |
| C14 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C29 | N5 | sing | 1.46Å | 1.47Å | |
| C29 | C27 | sing | 1.53Å | 1.53Å | |
| N5 | C15 | sing | 1.39Å | 1.36Å | |
| C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.53Å | 1.51Å | |
| C13 | C15 | doub | 1.40Å | 1.47Å | Aromatic |
| C13 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | N2 | sing | 1.33Å | 1.34Å | Aromatic |
| C1 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C11 | sing | 1.47Å | 1.45Å | Aromatic |
| C8 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| N2 | C16 | doub | 1.33Å | 1.35Å | Aromatic |
| C4 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | O3 | sing | 1.43Å | 1.41Å | |
| C9 | C24 | sing | 1.51Å | 1.51Å | |
| C16 | N1 | sing | 1.32Å | 1.35Å | Aromatic |
| C16 | N4 | sing | 1.39Å | 1.34Å | |
| C24 | N6 | sing | 1.47Å | 1.47Å | |
| N6 | C19 | sing | 1.47Å | 1.47Å | |
| C19 | C20 | sing | 1.54Å | 1.56Å | |
| C19 | C17 | sing | 1.54Å | 1.53Å | |
| C20 | O2 | sing | 1.43Å | 1.43Å | |
| C20 | C18 | sing | 1.54Å | 1.51Å | |
| C17 | O1 | sing | 1.45Å | 1.44Å | |
| O1 | C18 | sing | 1.44Å | 1.42Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| O3 | H38 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N4 | H34 | sing | 0.97Å | 1.00Å | |
| N4 | H33 | sing | 0.97Å | 1.00Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| N5 | H35 | sing | 0.97Å | 1.00Å | |
| N6 | H36 | sing | 1.01Å | 1.00Å | |
| O2 | H37 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C25 | C26 | 113.1° | 109.4° |
| C25 | C21 | H14 | 109.5° | 109.5° |
| C25 | C21 | H15 | 109.5° | 109.5° |
| C25 | C21 | H16 | 109.4° | 109.5° |
| C21 | C25 | H24 | 108.6° | 109.5° |
| C21 | C25 | H25 | 108.6° | 109.5° |
| C25 | C26 | C29 | 122.3° | 109.4° |
| C26 | C25 | H24 | 108.5° | 109.5° |
| C26 | C25 | H25 | 108.6° | 109.5° |
| C25 | C26 | H27 | 106.2° | 109.5° |
| C25 | C26 | H26 | 106.2° | 109.5° |
| C22 | O4 | C14 | 118.1° | 117.0° |
| O4 | C22 | H17 | 109.5° | 109.4° |
| O4 | C22 | H19 | 109.5° | 109.5° |
| O4 | C22 | H18 | 109.5° | 109.5° |
| O4 | C14 | C10 | 115.2° | 120.0° |
| O4 | C14 | C6 | 124.2° | 120.0° |
| C26 | C29 | N5 | 112.5° | 109.5° |
| C26 | C29 | C27 | 109.6° | 109.4° |
| C29 | C26 | H27 | 106.2° | 109.5° |
| C29 | C26 | H26 | 106.2° | 109.4° |
| C26 | C29 | H32 | 107.8° | 109.5° |
| C10 | C23 | N3 | 113.6° | 109.4° |
| C23 | C10 | C14 | 121.6° | 120.0° |
| C23 | C10 | C7 | 120.3° | 120.0° |
| C10 | C23 | H21 | 108.5° | 109.5° |
| C10 | C23 | H20 | 108.4° | 109.5° |
| C23 | N3 | C12 | 124.5° | 124.9° |
| C23 | N3 | C13 | 127.0° | 124.9° |
| N3 | C23 | H21 | 108.4° | 109.4° |
| N3 | C23 | H20 | 108.4° | 109.5° |
| C10 | C14 | C6 | 120.6° | 119.9° |
| C14 | C10 | C7 | 118.1° | 119.9° |
| C14 | C6 | C4 | 119.7° | 119.9° |
| C14 | C6 | H6 | 120.1° | 120.0° |
| C2 | C5 | C12 | 118.6° | 120.1° |
| C5 | C2 | C1 | 120.7° | 120.5° |
| C2 | C5 | H5 | 120.7° | 120.0° |
| C5 | C2 | H2 | 119.6° | 119.7° |
| C5 | C12 | N3 | 129.4° | 132.3° |
| C5 | C12 | C8 | 121.2° | 119.3° |
| C12 | C5 | H5 | 120.7° | 119.9° |
| C10 | C7 | C9 | 122.0° | 120.1° |
| C10 | C7 | H7 | 119.0° | 120.0° |
| C12 | N3 | C13 | 108.5° | 110.1° |
| N3 | C12 | C8 | 109.3° | 108.3° |
| N3 | C13 | C15 | 135.8° | 133.3° |
| N3 | C13 | C11 | 108.5° | 108.5° |
| N5 | C29 | C27 | 110.5° | 109.5° |
| C29 | N5 | C15 | 126.2° | 120.0° |
| N5 | C29 | H32 | 108.6° | 109.5° |
| C29 | N5 | H35 | 105.1° | 120.0° |
| C29 | C27 | C28 | 114.4° | 109.5° |
| C29 | C27 | H28 | 108.2° | 109.5° |
| C29 | C27 | H29 | 108.3° | 109.5° |
| C27 | C29 | H32 | 107.8° | 109.4° |
| N5 | C15 | C13 | 123.0° | 120.6° |
| N5 | C15 | N2 | 117.9° | 120.6° |
| C15 | N5 | H35 | 105.1° | 120.0° |
| C2 | C1 | C3 | 120.6° | 120.3° |
| C2 | C1 | H1 | 119.7° | 119.8° |
| C1 | C2 | H2 | 119.7° | 119.7° |
| C12 | C8 | C11 | 106.4° | 106.5° |
| C12 | C8 | C3 | 119.2° | 119.9° |
| C6 | C4 | C9 | 121.2° | 120.1° |
| C4 | C6 | H6 | 120.1° | 120.1° |
| C6 | C4 | H4 | 119.4° | 120.0° |
| C27 | C28 | O3 | 109.5° | 109.4° |
| C28 | C27 | H28 | 108.2° | 109.5° |
| C28 | C27 | H29 | 108.2° | 109.5° |
| C27 | C28 | H30 | 109.5° | 109.5° |
| C27 | C28 | H31 | 109.5° | 109.4° |
| C15 | C13 | C11 | 115.7° | 118.2° |
| C13 | C15 | N2 | 119.1° | 118.8° |
| C13 | C11 | C8 | 107.3° | 106.5° |
| C13 | C11 | N1 | 123.9° | 119.3° |
| C15 | N2 | C16 | 119.3° | 121.2° |
| C1 | C3 | C8 | 119.6° | 119.8° |
| C3 | C1 | H1 | 119.7° | 119.9° |
| C1 | C3 | H3 | 120.2° | 120.1° |
| C11 | C8 | C3 | 134.3° | 133.5° |
| C8 | C11 | N1 | 128.7° | 134.2° |
| C8 | C3 | H3 | 120.2° | 120.1° |
| C7 | C9 | C4 | 118.2° | 120.1° |
| C7 | C9 | C24 | 120.3° | 120.0° |
| C9 | C7 | H7 | 119.0° | 119.9° |
| C11 | N1 | C16 | 116.5° | 120.5° |
| N2 | C16 | N1 | 125.4° | 122.0° |
| N2 | C16 | N4 | 117.3° | 119.0° |
| C4 | C9 | C24 | 120.8° | 119.9° |
| C9 | C4 | H4 | 119.4° | 120.0° |
| C28 | O3 | H38 | 109.5° | 113.9° |
| O3 | C28 | H30 | 109.5° | 109.5° |
| O3 | C28 | H31 | 109.4° | 109.5° |
| C9 | C24 | N6 | 110.4° | 109.5° |
| C9 | C24 | H22 | 109.2° | 109.5° |
| C9 | C24 | H23 | 109.3° | 109.5° |
| N1 | C16 | N4 | 117.2° | 119.0° |
| C16 | N4 | H34 | 109.5° | 120.0° |
| C16 | N4 | H33 | 109.5° | 120.0° |
| C24 | N6 | C19 | 115.1° | 111.0° |
| N6 | C24 | H22 | 109.2° | 109.5° |
| N6 | C24 | H23 | 109.2° | 109.5° |
| C24 | N6 | H36 | 108.1° | 111.0° |
| N6 | C19 | C20 | 112.9° | 110.5° |
| N6 | C19 | C17 | 110.2° | 110.5° |
| N6 | C19 | H12 | 110.9° | 110.5° |
| C19 | N6 | H36 | 108.0° | 111.0° |
| C20 | C19 | C17 | 103.0° | 104.1° |
| C19 | C20 | O2 | 112.6° | 110.5° |
| C19 | C20 | C18 | 101.6° | 104.1° |
| C20 | C19 | H12 | 109.6° | 110.6° |
| C19 | C20 | H13 | 109.6° | 110.5° |
| C19 | C17 | O1 | 107.5° | 104.8° |
| C19 | C17 | H9 | 109.9° | 110.4° |
| C19 | C17 | H8 | 109.9° | 110.5° |
| C17 | C19 | H12 | 110.0° | 110.5° |
| O2 | C20 | C18 | 110.7° | 110.5° |
| O2 | C20 | H13 | 111.5° | 110.5° |
| C20 | O2 | H37 | 109.5° | 114.0° |
| C20 | C18 | O1 | 104.7° | 104.8° |
| C20 | C18 | H10 | 110.6° | 110.4° |
| C20 | C18 | H11 | 110.7° | 110.5° |
| C18 | C20 | H13 | 110.3° | 110.6° |
| C17 | O1 | C18 | 106.2° | 105.2° |
| O1 | C17 | H9 | 110.0° | 110.3° |
| O1 | C17 | H8 | 110.0° | 110.4° |
| O1 | C18 | H10 | 110.6° | 110.4° |
| O1 | C18 | H11 | 110.6° | 110.3° |
| H34 | N4 | H33 | 109.5° | 120.1° |
| H9 | C17 | H8 | 109.5° | 110.3° |
| H10 | C18 | H11 | 109.5° | 110.3° |
| H14 | C21 | H15 | 109.4° | 109.5° |
| H14 | C21 | H16 | 109.5° | 109.4° |
| H15 | C21 | H16 | 109.5° | 109.5° |
| H17 | C22 | H19 | 109.4° | 109.5° |
| H17 | C22 | H18 | 109.5° | 109.4° |
| H19 | C22 | H18 | 109.5° | 109.5° |
| H21 | C23 | H20 | 109.5° | 109.5° |
| H22 | C24 | H23 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.6° |
| H27 | C26 | H26 | 109.5° | 109.5° |
| H28 | C27 | H29 | 109.5° | 109.5° |
| H30 | C28 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C25 | C26 | H24 | 120.5° | 120.0° |
| C21 | C25 | C26 | H25 | 120.5° | 120.0° |
| C21 | C25 | C26 | C29 | 161.3° | 174.1° |
| C25 | C21 | H14 | H15 | 120.0° | 120.0° |
| C25 | C21 | H14 | H16 | 120.0° | 120.0° |
| C25 | C21 | H15 | H16 | 120.0° | 120.0° |
| C21 | C25 | H24 | H25 | 118.4° | 120.0° |
| C21 | C25 | C26 | H27 | 76.9° | 54.1° |
| C21 | C25 | C26 | H26 | 39.6° | 65.9° |
| C25 | C26 | C29 | H27 | 121.8° | 120.0° |
| C25 | C26 | C29 | H26 | 121.8° | 120.0° |
| C25 | C26 | C29 | N5 | 11.0° | 64.8° |
| C25 | C26 | C29 | C27 | 134.3° | 175.2° |
| C26 | C25 | C21 | H14 | 180.0° | 64.4° |
| C26 | C25 | C21 | H15 | 60.0° | 175.6° |
| C26 | C25 | C21 | H16 | 60.0° | 55.6° |
| C26 | C25 | H24 | H25 | 118.4° | 120.0° |
| C25 | C26 | H27 | H26 | 114.2° | 120.1° |
| C25 | C26 | C29 | H32 | 108.6° | 55.3° |
| C22 | O4 | C14 | C10 | 170.4° | 175.5° |
| C22 | O4 | C14 | C6 | 9.6° | 5.1° |
| O4 | C22 | H17 | H19 | 120.0° | 120.0° |
| O4 | C22 | H17 | H18 | 120.0° | 120.0° |
| O4 | C22 | H19 | H18 | 120.0° | 120.1° |
| O4 | C14 | C10 | C23 | 2.5° | 0.1° |
| O4 | C14 | C10 | C6 | 180.0° | 179.4° |
| O4 | C14 | C10 | C7 | 178.5° | 180.0° |
| O4 | C14 | C6 | C4 | 177.8° | 179.8° |
| O4 | C14 | C6 | H6 | 2.2° | 0.3° |
| C14 | O4 | C22 | H17 | 180.0° | 64.9° |
| C14 | O4 | C22 | H19 | 60.0° | 55.1° |
| C14 | O4 | C22 | H18 | 60.0° | 175.2° |
| C26 | C29 | N5 | C27 | 122.8° | 120.0° |
| C26 | C29 | N5 | H32 | 119.2° | 120.1° |
| C26 | C29 | C27 | H32 | 117.0° | 120.0° |
| C26 | C29 | N5 | C15 | 101.9° | 90.1° |
| C26 | C29 | C27 | C28 | 177.2° | 174.8° |
| C29 | C26 | C25 | H24 | 40.8° | 65.9° |
| C29 | C26 | C25 | H25 | 78.1° | 54.2° |
| C29 | C26 | H27 | H26 | 114.2° | 120.0° |
| C26 | C29 | C27 | H28 | 56.5° | 65.2° |
| C26 | C29 | C27 | H29 | 62.0° | 54.8° |
| C26 | C29 | N5 | H35 | 135.9° | 89.8° |
| C10 | C23 | N3 | H21 | 120.6° | 120.0° |
| C10 | C23 | N3 | H20 | 120.6° | 120.0° |
| C23 | C10 | C14 | C7 | 178.9° | 180.0° |
| C23 | C10 | C14 | C6 | 177.5° | 179.5° |
| C10 | C23 | N3 | C12 | 98.1° | 87.8° |
| C10 | C23 | N3 | C13 | 83.6° | 92.2° |
| C23 | C10 | C7 | C9 | 179.5° | 180.0° |
| C23 | C10 | C7 | H7 | 0.5° | 0.3° |
| C10 | C23 | H21 | H20 | 118.2° | 120.0° |
| N3 | C23 | C10 | C14 | 140.5° | 95.2° |
| C23 | N3 | C12 | C5 | 2.0° | 0.1° |
| N3 | C23 | C10 | C7 | 40.6° | 84.8° |
| C23 | N3 | C12 | C13 | 178.6° | 180.0° |
| C23 | N3 | C12 | C8 | 178.9° | 180.0° |
| C23 | N3 | C13 | C15 | 1.1° | 0.0° |
| C23 | N3 | C13 | C11 | 178.6° | 180.0° |
| N3 | C23 | H21 | H20 | 118.1° | 120.0° |
| C10 | C14 | C6 | C4 | 2.2° | 0.8° |
| C14 | C10 | C7 | C9 | 1.6° | 0.0° |
| C14 | C10 | C7 | H7 | 178.5° | 179.7° |
| C10 | C14 | C6 | H6 | 177.8° | 179.7° |
| C14 | C10 | C23 | H21 | 98.9° | 24.8° |
| C14 | C10 | C23 | H20 | 19.9° | 144.8° |
| C6 | C14 | C10 | C7 | 1.5° | 0.6° |
| C14 | C6 | C4 | H6 | 180.0° | 179.5° |
| C14 | C6 | C4 | C9 | 0.1° | 0.5° |
| C14 | C6 | C4 | H4 | 179.9° | 179.5° |
| C2 | C5 | C12 | H5 | 180.0° | 179.8° |
| C2 | C5 | C12 | N3 | 175.9° | 179.9° |
| C5 | C2 | C1 | H2 | 180.0° | 179.9° |
| C2 | C5 | C12 | C8 | 0.6° | 0.1° |
| C5 | C2 | C1 | C3 | 0.5° | 0.0° |
| C5 | C2 | C1 | H1 | 179.5° | 180.0° |
| C5 | C12 | N3 | C8 | 176.9° | 179.9° |
| C5 | C12 | N3 | C13 | 176.5° | 179.9° |
| C12 | C5 | C2 | C1 | 1.0° | 0.1° |
| C5 | C12 | C8 | C11 | 176.7° | 180.0° |
| C5 | C12 | C8 | C3 | 0.3° | 0.1° |
| C12 | C5 | C2 | H2 | 179.0° | 180.0° |
| C10 | C7 | C9 | H7 | 180.0° | 179.7° |
| C10 | C7 | C9 | C4 | 3.8° | 0.3° |
| C10 | C7 | C9 | C24 | 167.1° | 179.7° |
| C7 | C10 | C23 | H21 | 80.0° | 155.3° |
| C7 | C10 | C23 | H20 | 161.1° | 35.2° |
| C12 | N3 | C13 | C15 | 177.4° | 180.0° |
| C12 | N3 | C13 | C11 | 0.1° | 0.0° |
| N3 | C12 | C8 | C11 | 0.4° | 0.0° |
| N3 | C12 | C8 | C3 | 177.5° | 180.0° |
| N3 | C12 | C5 | H5 | 4.1° | 0.1° |
| C12 | N3 | C23 | H21 | 22.5° | 32.2° |
| C12 | N3 | C23 | H20 | 141.3° | 152.2° |
| N3 | C13 | C15 | N5 | 2.8° | 0.1° |
| C13 | N3 | C12 | C8 | 0.3° | 0.0° |
| N3 | C13 | C15 | C11 | 177.3° | 179.9° |
| N3 | C13 | C15 | N2 | 176.6° | 180.0° |
| N3 | C13 | C11 | C8 | 0.2° | 0.0° |
| N3 | C13 | C11 | N1 | 176.8° | 180.0° |
| C13 | N3 | C23 | H21 | 155.8° | 147.9° |
| C13 | N3 | C23 | H20 | 37.0° | 27.8° |
| N5 | C29 | C27 | H32 | 118.5° | 120.0° |
| C29 | N5 | C15 | H35 | 122.2° | 180.0° |
| N5 | C29 | C27 | C28 | 58.3° | 65.1° |
| C29 | N5 | C15 | C13 | 179.0° | 176.2° |
| C29 | N5 | C15 | N2 | 0.4° | 3.7° |
| N5 | C29 | C26 | H27 | 132.8° | 175.2° |
| N5 | C29 | C26 | H26 | 110.7° | 55.2° |
| N5 | C29 | C27 | H28 | 179.0° | 54.9° |
| N5 | C29 | C27 | H29 | 62.4° | 174.9° |
| C27 | C29 | N5 | C15 | 135.3° | 149.9° |
| C29 | C27 | C28 | H28 | 120.7° | 120.0° |
| C29 | C27 | C28 | H29 | 120.7° | 120.0° |
| C29 | C27 | C28 | O3 | 177.6° | 175.2° |
| C27 | C29 | C26 | H27 | 103.9° | 55.2° |
| C27 | C29 | C26 | H26 | 12.5° | 64.8° |
| C29 | C27 | H28 | H29 | 117.8° | 120.0° |
| C29 | C27 | C28 | H30 | 57.6° | 64.8° |
| C29 | C27 | C28 | H31 | 62.4° | 55.2° |
| C27 | C29 | N5 | H35 | 13.1° | 30.2° |
| N5 | C15 | C13 | N2 | 179.5° | 180.0° |
| N5 | C15 | C13 | C11 | 179.9° | 180.0° |
| N5 | C15 | N2 | C16 | 179.0° | 179.9° |
| C15 | N5 | C29 | H32 | 17.3° | 29.9° |
| C2 | C1 | C3 | H1 | 180.0° | 180.0° |
| C2 | C1 | C3 | C8 | 0.4° | 0.0° |
| C1 | C2 | C5 | H5 | 179.0° | 179.9° |
| C2 | C1 | C3 | H3 | 179.6° | 180.0° |
| C12 | C8 | C11 | C13 | 0.4° | 0.0° |
| C12 | C8 | C3 | C1 | 0.8° | 0.0° |
| C12 | C8 | C11 | C3 | 176.4° | 180.0° |
| C12 | C8 | C11 | N1 | 176.4° | 180.0° |
| C8 | C12 | C5 | H5 | 179.4° | 179.9° |
| C12 | C8 | C3 | H3 | 179.2° | 180.0° |
| C6 | C4 | C9 | C7 | 3.0° | 0.1° |
| C6 | C4 | C9 | H4 | 180.0° | 179.9° |
| C6 | C4 | C9 | C24 | 167.8° | 180.0° |
| C27 | C28 | O3 | H30 | 120.0° | 120.0° |
| C27 | C28 | O3 | H31 | 120.0° | 119.9° |
| C27 | C28 | O3 | H38 | 180.0° | 175.0° |
| C28 | C27 | H28 | H29 | 117.7° | 120.0° |
| C27 | C28 | H30 | H31 | 120.0° | 120.0° |
| C28 | C27 | C29 | H32 | 60.2° | 54.8° |
| C15 | C13 | C11 | C8 | 178.2° | 180.0° |
| C15 | C13 | C11 | N1 | 1.2° | 0.1° |
| C13 | C15 | N2 | C16 | 0.5° | 0.0° |
| C13 | C15 | N5 | H35 | 58.7° | 3.8° |
| C11 | C13 | C15 | N2 | 0.7° | 0.0° |
| C13 | C11 | C8 | N1 | 176.8° | 179.9° |
| C13 | C11 | C8 | C3 | 176.8° | 180.0° |
| C13 | C11 | N1 | C16 | 0.5° | 0.1° |
| C15 | N2 | C16 | N1 | 1.3° | 0.0° |
| C15 | N2 | C16 | N4 | 175.9° | 180.0° |
| N2 | C15 | N5 | H35 | 121.8° | 176.2° |
| C1 | C3 | C8 | C11 | 175.2° | 180.0° |
| C1 | C3 | C8 | H3 | 180.0° | 179.9° |
| C3 | C1 | C2 | H2 | 179.5° | 179.9° |
| C8 | C11 | N1 | C16 | 176.9° | 180.0° |
| C11 | C8 | C3 | H3 | 4.8° | 0.0° |
| C3 | C8 | C11 | N1 | 0.0° | 0.0° |
| C8 | C3 | C1 | H1 | 179.6° | 179.9° |
| C7 | C9 | C4 | C24 | 170.9° | 179.9° |
| C7 | C9 | C24 | N6 | 76.9° | 98.5° |
| C7 | C9 | C4 | H4 | 177.0° | 180.0° |
| C7 | C9 | C24 | H22 | 163.0° | 141.5° |
| C7 | C9 | C24 | H23 | 43.3° | 21.5° |
| C11 | N1 | C16 | N2 | 0.8° | 0.0° |
| C11 | N1 | C16 | N4 | 176.4° | 180.0° |
| N2 | C16 | N1 | N4 | 177.2° | 180.0° |
| N2 | C16 | N4 | H34 | 0.0° | 0.0° |
| N2 | C16 | N4 | H33 | 120.0° | 180.0° |
| C4 | C9 | C24 | N6 | 93.8° | 81.6° |
| C4 | C9 | C7 | H7 | 176.2° | 180.0° |
| C9 | C4 | C6 | H6 | 179.9° | 180.0° |
| C4 | C9 | C24 | H22 | 26.3° | 38.4° |
| C4 | C9 | C24 | H23 | 146.1° | 158.4° |
| O3 | C28 | C27 | H28 | 61.7° | 55.2° |
| O3 | C28 | C27 | H29 | 56.9° | 64.8° |
| O3 | C28 | H30 | H31 | 120.0° | 120.0° |
| C9 | C24 | N6 | H22 | 120.1° | 120.0° |
| C9 | C24 | N6 | H23 | 120.2° | 120.0° |
| C9 | C24 | N6 | C19 | 174.1° | 172.8° |
| C24 | C9 | C7 | H7 | 12.9° | 0.0° |
| C24 | C9 | C4 | H4 | 12.1° | 0.0° |
| C9 | C24 | H22 | H23 | 119.6° | 120.0° |
| C9 | C24 | N6 | H36 | 65.1° | 63.2° |
| N1 | C16 | N4 | H34 | 177.5° | 180.0° |
| N1 | C16 | N4 | H33 | 62.5° | 0.0° |
| C16 | N4 | H34 | H33 | 120.0° | 180.0° |
| C24 | N6 | C19 | H36 | 120.8° | 124.0° |
| C24 | N6 | C19 | C20 | 68.5° | 163.9° |
| C24 | N6 | C19 | C17 | 177.0° | 81.4° |
| C24 | N6 | C19 | H12 | 55.0° | 41.2° |
| N6 | C24 | H22 | H23 | 119.6° | 120.0° |
| N6 | C19 | C20 | C17 | 118.9° | 118.6° |
| N6 | C19 | C20 | H12 | 124.1° | 122.7° |
| N6 | C19 | C17 | H12 | 122.5° | 122.6° |
| N6 | C19 | C20 | O2 | 100.6° | 122.7° |
| N6 | C19 | C20 | C18 | 140.9° | 118.7° |
| N6 | C19 | C17 | O1 | 119.5° | 142.7° |
| N6 | C19 | C17 | H9 | 0.2° | 98.5° |
| N6 | C19 | C17 | H8 | 120.8° | 23.8° |
| N6 | C19 | C20 | H13 | 24.2° | 0.1° |
| C19 | N6 | C24 | H22 | 54.0° | 52.9° |
| C19 | N6 | C24 | H23 | 65.7° | 67.2° |
| C20 | C19 | C17 | H12 | 116.8° | 118.7° |
| C19 | C20 | O2 | C18 | 113.0° | 114.6° |
| C19 | C20 | O2 | H13 | 123.7° | 122.6° |
| C19 | C20 | C18 | H13 | 116.2° | 118.7° |
| C20 | C19 | C17 | O1 | 1.2° | 24.0° |
| C19 | C20 | C18 | O1 | 38.9° | 24.0° |
| C20 | C19 | C17 | H9 | 120.9° | 142.8° |
| C20 | C19 | C17 | H8 | 118.5° | 94.8° |
| C19 | C20 | C18 | H10 | 80.3° | 94.9° |
| C19 | C20 | C18 | H11 | 158.2° | 142.8° |
| C20 | C19 | N6 | H36 | 52.3° | 39.9° |
| C19 | C20 | O2 | H37 | 180.0° | 179.9° |
| C17 | C19 | C20 | O2 | 140.6° | 118.7° |
| C17 | C19 | C20 | C18 | 22.1° | 0.0° |
| C19 | C17 | O1 | H9 | 119.7° | 118.8° |
| C19 | C17 | O1 | H8 | 119.7° | 119.0° |
| C19 | C17 | O1 | C18 | 26.2° | 40.5° |
| C19 | C17 | H9 | H8 | 120.9° | 122.4° |
| C17 | C19 | C20 | H13 | 94.6° | 118.7° |
| C17 | C19 | N6 | H36 | 62.2° | 154.6° |
| O2 | C20 | C18 | H13 | 123.9° | 122.7° |
| O2 | C20 | C18 | O1 | 158.8° | 94.6° |
| O2 | C20 | C18 | H10 | 39.5° | 146.5° |
| O2 | C20 | C18 | H11 | 82.0° | 24.2° |
| O2 | C20 | C19 | H12 | 23.6° | 0.0° |
| C20 | C18 | O1 | C17 | 41.4° | 40.5° |
| C20 | C18 | O1 | H10 | 119.2° | 118.9° |
| C20 | C18 | O1 | H11 | 119.3° | 119.0° |
| C20 | C18 | H10 | H11 | 122.2° | 122.4° |
| C18 | C20 | C19 | H12 | 94.9° | 118.7° |
| C18 | C20 | O2 | H37 | 67.0° | 65.3° |
| O1 | C17 | H9 | H8 | 121.0° | 122.2° |
| C17 | O1 | C18 | H10 | 77.8° | 78.3° |
| C17 | O1 | C18 | H11 | 160.6° | 159.5° |
| O1 | C17 | C19 | H12 | 118.0° | 94.7° |
| C18 | O1 | C17 | H9 | 145.9° | 159.4° |
| C18 | O1 | C17 | H8 | 93.5° | 78.4° |
| O1 | C18 | H10 | H11 | 122.2° | 122.1° |
| O1 | C18 | C20 | H13 | 77.3° | 142.7° |
| H1 | C1 | C3 | H3 | 0.4° | 0.0° |
| H1 | C1 | C2 | H2 | 0.5° | 0.1° |
| H5 | C5 | C2 | H2 | 1.0° | 0.2° |
| H6 | C6 | C4 | H4 | 0.1° | 0.0° |
| H38 | O3 | C28 | H30 | 60.0° | 55.0° |
| H38 | O3 | C28 | H31 | 60.0° | 65.0° |
| H9 | C17 | C19 | H12 | 122.3° | 24.1° |
| H8 | C17 | C19 | H12 | 1.7° | 146.4° |
| H10 | C18 | C20 | H13 | 163.5° | 23.9° |
| H11 | C18 | C20 | H13 | 41.9° | 98.5° |
| H12 | C19 | C20 | H13 | 148.3° | 122.5° |
| H12 | C19 | N6 | H36 | 175.8° | 82.8° |
| H13 | C20 | O2 | H37 | 56.3° | 57.4° |
| H14 | C21 | H15 | H16 | 120.0° | 119.9° |
| H14 | C21 | C25 | H24 | 59.5° | 175.7° |
| H14 | C21 | C25 | H25 | 59.5° | 55.6° |
| H15 | C21 | C25 | H24 | 60.5° | 55.6° |
| H15 | C21 | C25 | H25 | 179.5° | 64.5° |
| H16 | C21 | C25 | H24 | 179.5° | 64.4° |
| H16 | C21 | C25 | H25 | 60.5° | 175.5° |
| H17 | C22 | H19 | H18 | 120.0° | 120.0° |
| H22 | C24 | N6 | H36 | 174.8° | 176.8° |
| H23 | C24 | N6 | H36 | 55.1° | 56.8° |
| H24 | C25 | C26 | H27 | 162.6° | 174.1° |
| H24 | C25 | C26 | H26 | 81.0° | 54.0° |
| H25 | C25 | C26 | H27 | 43.7° | 65.8° |
| H25 | C25 | C26 | H26 | 160.1° | 174.1° |
| H27 | C26 | C29 | H32 | 13.1° | 64.7° |
| H26 | C26 | C29 | H32 | 129.6° | 175.3° |
| H28 | C27 | C28 | H30 | 178.3° | 175.3° |
| H28 | C27 | C28 | H31 | 58.3° | 64.8° |
| H28 | C27 | C29 | H32 | 60.5° | 174.8° |
| H29 | C27 | C28 | H30 | 63.2° | 55.2° |
| H29 | C27 | C28 | H31 | 176.9° | 175.2° |
| H29 | C27 | C29 | H32 | 179.1° | 65.2° |
| H32 | C29 | N5 | H35 | 104.9° | 150.1° |
