A1IU3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.22Å | 1.19Å | |
| C2 | N1 | sing | 1.47Å | 1.44Å | |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.55Å | |
| C9 | C2 | sing | 1.51Å | 1.50Å | |
| N3 | N2 | sing | 1.40Å | 1.60Å | |
| C11 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| BR1 | C15 | sing | 1.89Å | 1.93Å | |
| C10 | N3 | sing | 1.40Å | 1.48Å | |
| C16 | N3 | sing | 1.47Å | 1.32Å | |
| C17 | C16 | sing | 1.54Å | 1.56Å | |
| C18 | C17 | sing | 1.54Å | 1.55Å | |
| N2 | C9 | sing | 1.35Å | 1.49Å | |
| O2 | C9 | doub | 1.21Å | 1.19Å | |
| N1 | C1 | sing | 1.35Å | 1.44Å | |
| N4 | C1 | sing | 1.35Å | 1.44Å | |
| C19 | N4 | sing | 1.47Å | 1.42Å | |
| C20 | C19 | sing | 1.51Å | 1.56Å | |
| C21 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.44Å | Aromatic |
| O3 | C23 | sing | 1.44Å | 1.44Å | |
| C24 | O3 | sing | 1.43Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.63Å | |
| O4 | C25 | sing | 1.43Å | 1.35Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.54Å | 1.50Å | |
| N5 | C26 | sing | 1.47Å | 1.48Å | |
| C23 | C22 | sing | 1.51Å | 1.56Å | |
| C28 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C29 | C28 | sing | 1.39Å | 1.44Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.42Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| N2 | C18 | sing | 1.47Å | 1.32Å | |
| C10 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C30 | sing | 1.38Å | 1.43Å | Aromatic |
| C23 | C27 | sing | 1.53Å | 1.46Å | |
| N5 | C28 | sing | 1.40Å | 1.45Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.08Å | 1.08Å | |
| C30 | H32 | sing | 1.08Å | 1.08Å | |
| N4 | H18 | sing | 0.97Å | 1.00Å | |
| N5 | H30 | sing | 0.97Å | 1.00Å | |
| O4 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | N1 | 122.6° | 120.1° |
| O1 | C1 | N4 | 124.3° | 120.0° |
| N1 | C2 | C3 | 108.9° | 109.4° |
| N1 | C2 | C9 | 105.8° | 109.5° |
| C2 | N1 | C1 | 118.5° | 120.0° |
| C2 | N1 | H1 | 120.8° | 119.9° |
| N1 | C2 | H2 | 111.6° | 109.5° |
| C3 | C4 | C5 | 119.5° | 120.0° |
| C4 | C3 | C2 | 119.8° | 120.0° |
| C4 | C3 | C8 | 120.9° | 120.0° |
| C3 | C4 | H3 | 120.2° | 120.0° |
| C4 | C5 | C6 | 119.5° | 120.0° |
| C5 | C4 | H3 | 120.3° | 120.0° |
| C4 | C5 | H4 | 120.3° | 120.0° |
| C5 | C6 | C7 | 120.8° | 120.0° |
| C6 | C5 | H4 | 120.2° | 120.0° |
| C5 | C6 | H5 | 119.6° | 120.0° |
| C6 | C7 | C8 | 119.8° | 120.0° |
| C7 | C6 | H5 | 119.6° | 120.0° |
| C6 | C7 | H6 | 120.1° | 120.0° |
| C7 | C8 | C3 | 119.4° | 120.0° |
| C8 | C7 | H6 | 120.1° | 120.0° |
| C7 | C8 | H7 | 120.2° | 120.0° |
| C3 | C2 | C9 | 110.1° | 109.5° |
| C2 | C3 | C8 | 119.3° | 120.0° |
| C3 | C2 | H2 | 109.9° | 109.5° |
| C2 | C9 | N2 | 117.2° | 120.0° |
| C2 | C9 | O2 | 122.5° | 120.0° |
| C9 | C2 | H2 | 110.6° | 109.5° |
| N2 | N3 | C10 | 120.6° | 125.1° |
| N2 | N3 | C16 | 100.6° | 109.9° |
| N3 | N2 | C9 | 123.7° | 125.7° |
| N3 | N2 | C18 | 107.8° | 108.5° |
| C10 | C11 | C12 | 119.4° | 119.9° |
| C11 | C10 | N3 | 120.2° | 120.1° |
| C11 | C10 | C15 | 120.3° | 119.9° |
| C10 | C11 | H8 | 120.3° | 120.0° |
| C11 | C12 | C13 | 120.0° | 120.1° |
| C12 | C11 | H8 | 120.3° | 120.0° |
| C11 | C12 | H9 | 120.0° | 120.0° |
| C12 | C13 | C14 | 120.5° | 120.1° |
| C12 | C13 | H10 | 119.7° | 119.9° |
| C13 | C12 | H9 | 120.0° | 119.9° |
| C13 | C14 | C15 | 118.9° | 120.1° |
| C14 | C13 | H10 | 119.7° | 120.0° |
| C13 | C14 | H11 | 120.5° | 119.9° |
| C14 | C15 | BR1 | 121.1° | 120.1° |
| C14 | C15 | C10 | 120.9° | 119.9° |
| C15 | C14 | H11 | 120.5° | 119.9° |
| BR1 | C15 | C10 | 118.1° | 120.1° |
| C10 | N3 | C16 | 122.1° | 125.0° |
| N3 | C10 | C15 | 119.5° | 120.1° |
| N3 | C16 | C17 | 104.8° | 106.1° |
| N3 | C16 | H12 | 110.6° | 110.1° |
| N3 | C16 | H13 | 110.6° | 110.1° |
| C16 | C17 | C18 | 104.1° | 103.1° |
| C16 | C17 | H14 | 110.8° | 110.7° |
| C16 | C17 | H15 | 110.8° | 110.7° |
| C17 | C16 | H12 | 110.7° | 110.1° |
| C17 | C16 | H13 | 110.7° | 110.2° |
| C17 | C18 | N2 | 103.8° | 104.1° |
| C18 | C17 | H14 | 110.8° | 110.5° |
| C18 | C17 | H15 | 110.8° | 111.0° |
| C17 | C18 | H16 | 110.9° | 110.5° |
| C17 | C18 | H17 | 110.9° | 110.5° |
| N2 | C9 | O2 | 120.3° | 120.0° |
| C9 | N2 | C18 | 128.5° | 125.7° |
| N1 | C1 | N4 | 113.1° | 120.0° |
| C1 | N1 | H1 | 120.8° | 120.1° |
| C1 | N4 | C19 | 119.4° | 120.0° |
| C1 | N4 | H18 | 120.3° | 120.0° |
| N4 | C19 | C20 | 104.3° | 109.4° |
| N4 | C19 | H19 | 110.7° | 109.5° |
| N4 | C19 | H20 | 110.8° | 109.5° |
| C19 | N4 | H18 | 120.3° | 120.1° |
| C19 | C20 | C21 | 119.5° | 119.9° |
| C19 | C20 | C30 | 118.9° | 120.0° |
| C20 | C19 | H19 | 110.7° | 109.5° |
| C20 | C19 | H20 | 110.7° | 109.5° |
| C20 | C21 | C22 | 118.6° | 120.2° |
| C21 | C20 | C30 | 121.6° | 120.1° |
| C20 | C21 | H21 | 120.7° | 119.9° |
| C21 | C22 | C23 | 119.1° | 119.1° |
| C21 | C22 | C28 | 120.5° | 119.8° |
| C22 | C21 | H21 | 120.7° | 120.0° |
| C23 | O3 | C24 | 115.0° | 112.6° |
| O3 | C23 | C22 | 107.5° | 107.6° |
| O3 | C23 | C27 | 110.5° | 107.9° |
| O3 | C23 | H22 | 109.8° | 111.3° |
| O3 | C24 | C25 | 114.7° | 109.6° |
| O3 | C24 | H24 | 108.1° | 109.4° |
| O3 | C24 | H23 | 108.2° | 109.5° |
| C24 | C25 | O4 | 108.1° | 109.4° |
| C24 | C25 | C26 | 110.2° | 110.2° |
| C25 | C24 | H24 | 108.2° | 109.5° |
| C25 | C24 | H23 | 108.1° | 109.5° |
| C24 | C25 | H25 | 108.1° | 109.4° |
| O4 | C25 | C26 | 109.0° | 109.3° |
| O4 | C25 | H25 | 112.0° | 109.3° |
| C25 | O4 | H26 | 109.5° | 114.0° |
| C25 | C26 | C27 | 107.7° | 109.5° |
| C25 | C26 | N5 | 107.7° | 110.4° |
| C25 | C26 | H27 | 108.7° | 109.5° |
| C26 | C25 | H25 | 109.3° | 109.3° |
| C27 | C26 | N5 | 114.2° | 108.2° |
| C26 | C27 | C23 | 111.9° | 108.1° |
| C27 | C26 | H27 | 109.0° | 109.5° |
| C26 | C27 | H28 | 108.9° | 109.7° |
| C26 | C27 | H29 | 108.8° | 109.7° |
| C26 | N5 | C28 | 119.3° | 119.7° |
| N5 | C26 | H27 | 109.4° | 109.7° |
| C26 | N5 | H30 | 107.0° | 120.1° |
| C23 | C22 | C28 | 120.3° | 121.1° |
| C22 | C23 | C27 | 111.3° | 109.4° |
| C22 | C23 | H22 | 108.2° | 110.3° |
| C22 | C28 | C29 | 120.7° | 119.9° |
| C22 | C28 | N5 | 119.9° | 120.9° |
| C28 | C29 | C30 | 119.2° | 120.0° |
| C29 | C28 | N5 | 119.5° | 119.2° |
| C28 | C29 | H31 | 120.4° | 120.0° |
| C29 | C30 | C20 | 119.4° | 120.0° |
| C30 | C29 | H31 | 120.4° | 120.0° |
| C29 | C30 | H32 | 120.3° | 120.0° |
| C3 | C8 | H7 | 120.3° | 120.0° |
| N2 | C18 | H16 | 110.8° | 110.7° |
| N2 | C18 | H17 | 110.9° | 110.3° |
| C20 | C30 | H32 | 120.3° | 120.0° |
| C27 | C23 | H22 | 109.5° | 110.3° |
| C23 | C27 | H28 | 108.8° | 109.8° |
| C23 | C27 | H29 | 108.9° | 109.8° |
| C28 | N5 | H30 | 107.0° | 120.2° |
| H14 | C17 | H15 | 109.4° | 110.6° |
| H24 | C24 | H23 | 109.5° | 109.4° |
| H12 | C16 | H13 | 109.5° | 110.2° |
| H16 | C18 | H17 | 109.5° | 110.5° |
| H19 | C19 | H20 | 109.5° | 109.5° |
| H28 | C27 | H29 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | N1 | C2 | 1.1° | 0.2° |
| O1 | C1 | N1 | N4 | 179.4° | 180.0° |
| O1 | C1 | N4 | C19 | 0.1° | 0.0° |
| O1 | C1 | N1 | H1 | 178.9° | 180.0° |
| O1 | C1 | N4 | H18 | 179.9° | 179.9° |
| N1 | C2 | C3 | C4 | 112.3° | 142.1° |
| N1 | C2 | C3 | C9 | 115.5° | 120.0° |
| N1 | C2 | C3 | H2 | 122.4° | 120.0° |
| N1 | C2 | C9 | H2 | 120.9° | 120.0° |
| N1 | C2 | C9 | N2 | 171.6° | 152.2° |
| N1 | C2 | C9 | O2 | 8.7° | 27.7° |
| C2 | N1 | C1 | H1 | 180.0° | 179.8° |
| C2 | N1 | C1 | N4 | 179.5° | 179.7° |
| N1 | C2 | C3 | C8 | 68.1° | 37.7° |
| C3 | C4 | C5 | H3 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 1.5° | 0.1° |
| C4 | C3 | C8 | C7 | 0.6° | 0.0° |
| C4 | C3 | C2 | C8 | 179.7° | 179.8° |
| C4 | C3 | C2 | C9 | 132.2° | 97.9° |
| C3 | C4 | C5 | H4 | 178.5° | 180.0° |
| C4 | C3 | C8 | H7 | 179.4° | 180.0° |
| C4 | C3 | C2 | H2 | 10.2° | 22.1° |
| C4 | C5 | C6 | H4 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.8° | 0.1° |
| C5 | C4 | C3 | C2 | 178.2° | 179.7° |
| C5 | C4 | C3 | C8 | 1.4° | 0.1° |
| C4 | C5 | C6 | H5 | 179.2° | 180.0° |
| C5 | C6 | C7 | H5 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.0° | 0.0° |
| C6 | C5 | C4 | H3 | 178.5° | 179.8° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C6 | C7 | C8 | H6 | 180.0° | 180.0° |
| C6 | C7 | C8 | C3 | 0.1° | 0.0° |
| C7 | C6 | C5 | H4 | 179.2° | 179.9° |
| C6 | C7 | C8 | H7 | 179.9° | 180.0° |
| C7 | C8 | C3 | C2 | 179.1° | 179.8° |
| C7 | C8 | C3 | H7 | 180.0° | 179.9° |
| C8 | C7 | C6 | H5 | 180.0° | 180.0° |
| C3 | C2 | C9 | H2 | 121.6° | 120.0° |
| C3 | C2 | C9 | N2 | 70.9° | 87.8° |
| C3 | C2 | C9 | O2 | 108.8° | 92.3° |
| C3 | C2 | N1 | C1 | 143.5° | 85.0° |
| C3 | C2 | N1 | H1 | 36.4° | 94.8° |
| C2 | C3 | C4 | H3 | 1.7° | 0.1° |
| C2 | C3 | C8 | H7 | 1.0° | 0.3° |
| C2 | C9 | N2 | N3 | 0.0° | 174.9° |
| C2 | C9 | N2 | O2 | 179.7° | 179.9° |
| C9 | C2 | N1 | C1 | 98.1° | 155.0° |
| C9 | C2 | C3 | C8 | 47.4° | 82.3° |
| C2 | C9 | N2 | C18 | 178.8° | 5.0° |
| C9 | C2 | N1 | H1 | 81.9° | 25.2° |
| N2 | N3 | C10 | C11 | 23.0° | 93.7° |
| N2 | N3 | C10 | C16 | 128.7° | 179.7° |
| N2 | N3 | C16 | C17 | 38.9° | 1.6° |
| N3 | N2 | C18 | C17 | 26.4° | 29.0° |
| N3 | N2 | C9 | C18 | 178.8° | 180.0° |
| N3 | N2 | C9 | O2 | 179.8° | 5.1° |
| N2 | N3 | C10 | C15 | 158.8° | 86.0° |
| N2 | N3 | C16 | H12 | 80.4° | 117.5° |
| N2 | N3 | C16 | H13 | 158.2° | 120.8° |
| N3 | N2 | C18 | H16 | 145.5° | 147.8° |
| N3 | N2 | C18 | H17 | 92.7° | 89.6° |
| C10 | C11 | C12 | H8 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.0° |
| C11 | C10 | C15 | C14 | 0.2° | 0.3° |
| C11 | C10 | C15 | BR1 | 179.8° | 179.8° |
| C11 | C10 | N3 | C15 | 178.2° | 179.7° |
| C11 | C10 | N3 | C16 | 105.6° | 85.9° |
| C10 | C11 | C12 | H9 | 180.0° | 179.7° |
| C11 | C12 | C13 | H9 | 180.0° | 179.7° |
| C11 | C12 | C13 | C14 | 0.8° | 0.3° |
| C12 | C11 | C10 | N3 | 178.7° | 180.0° |
| C12 | C11 | C10 | C15 | 0.6° | 0.2° |
| C11 | C12 | C13 | H10 | 179.2° | 180.0° |
| C12 | C13 | C14 | H10 | 180.0° | 179.8° |
| C12 | C13 | C14 | C15 | 1.1° | 0.2° |
| C13 | C12 | C11 | H8 | 180.0° | 180.0° |
| C12 | C13 | C14 | H11 | 178.8° | 179.7° |
| C13 | C14 | C15 | H11 | 180.0° | 179.9° |
| C13 | C14 | C15 | BR1 | 178.9° | 180.0° |
| C13 | C14 | C15 | C10 | 0.6° | 0.0° |
| C14 | C13 | C12 | H9 | 179.2° | 179.9° |
| C14 | C15 | BR1 | C10 | 179.6° | 180.0° |
| C14 | C15 | C10 | N3 | 178.4° | 180.0° |
| C15 | C14 | C13 | H10 | 178.9° | 180.0° |
| BR1 | C15 | C10 | N3 | 2.0° | 0.0° |
| BR1 | C15 | C14 | H11 | 1.1° | 0.1° |
| C10 | N3 | C16 | C17 | 98.0° | 178.1° |
| C10 | N3 | N2 | C9 | 88.0° | 19.8° |
| C10 | N3 | N2 | C18 | 93.0° | 160.2° |
| N3 | C10 | C11 | H8 | 1.3° | 0.0° |
| C10 | N3 | C16 | H12 | 142.7° | 62.8° |
| C10 | N3 | C16 | H13 | 21.3° | 58.9° |
| N3 | C16 | C17 | H12 | 119.2° | 119.1° |
| N3 | C16 | C17 | H13 | 119.3° | 119.1° |
| N3 | C16 | C17 | C18 | 25.8° | 15.6° |
| C16 | N3 | N2 | C9 | 134.3° | 160.5° |
| C16 | N3 | N2 | C18 | 44.7° | 19.5° |
| C16 | N3 | C10 | C15 | 72.5° | 94.3° |
| N3 | C16 | C17 | H14 | 144.9° | 102.6° |
| N3 | C16 | C17 | H15 | 93.4° | 134.3° |
| N3 | C16 | H12 | H13 | 122.1° | 121.7° |
| C16 | C17 | C18 | H14 | 119.2° | 118.4° |
| C16 | C17 | C18 | H15 | 119.2° | 118.5° |
| C16 | C17 | C18 | N2 | 3.4° | 26.5° |
| C16 | C17 | H14 | H15 | 122.5° | 123.1° |
| C17 | C16 | H12 | H13 | 122.2° | 121.7° |
| C16 | C17 | C18 | H16 | 122.4° | 145.4° |
| C16 | C17 | C18 | H17 | 115.7° | 91.9° |
| C17 | C18 | N2 | C9 | 152.6° | 151.0° |
| C17 | C18 | N2 | H16 | 119.1° | 118.8° |
| C17 | C18 | N2 | H17 | 119.1° | 118.6° |
| C18 | C17 | H14 | H15 | 122.5° | 123.3° |
| C18 | C17 | C16 | H12 | 93.5° | 134.7° |
| C18 | C17 | C16 | H13 | 145.0° | 103.5° |
| C17 | C18 | H16 | H17 | 122.6° | 122.7° |
| C9 | N2 | C18 | H16 | 33.5° | 32.2° |
| C9 | N2 | C18 | H17 | 88.4° | 90.4° |
| N2 | C9 | C2 | H2 | 50.7° | 32.2° |
| O2 | C9 | N2 | C18 | 1.4° | 174.9° |
| O2 | C9 | C2 | H2 | 129.6° | 147.7° |
| N1 | C1 | N4 | C19 | 179.6° | 180.0° |
| C1 | N1 | C2 | H2 | 22.1° | 35.0° |
| N1 | C1 | N4 | H18 | 0.5° | 0.0° |
| C1 | N4 | C19 | H18 | 180.0° | 179.9° |
| C1 | N4 | C19 | C20 | 127.9° | 180.0° |
| N4 | C1 | N1 | H1 | 0.5° | 0.0° |
| C1 | N4 | C19 | H19 | 112.9° | 60.0° |
| C1 | N4 | C19 | H20 | 8.8° | 60.0° |
| N4 | C19 | C20 | H19 | 119.2° | 120.0° |
| N4 | C19 | C20 | H20 | 119.2° | 120.0° |
| N4 | C19 | C20 | C21 | 130.6° | 90.3° |
| N4 | C19 | C20 | C30 | 48.3° | 90.1° |
| N4 | C19 | H19 | H20 | 122.4° | 120.0° |
| C19 | C20 | C21 | C30 | 178.9° | 179.6° |
| C19 | C20 | C21 | C22 | 179.6° | 180.0° |
| C19 | C20 | C30 | C29 | 179.6° | 179.5° |
| C19 | C20 | C21 | H21 | 0.4° | 0.0° |
| C20 | C19 | H19 | H20 | 122.4° | 120.0° |
| C19 | C20 | C30 | H32 | 0.4° | 0.1° |
| C20 | C19 | N4 | H18 | 52.1° | 0.1° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 178.8° | 179.1° |
| C20 | C21 | C22 | C28 | 0.1° | 0.4° |
| C21 | C20 | C30 | C29 | 0.8° | 0.8° |
| C21 | C20 | C19 | H19 | 11.4° | 29.7° |
| C21 | C20 | C19 | H20 | 110.3° | 149.7° |
| C21 | C20 | C30 | H32 | 179.2° | 179.5° |
| C21 | C22 | C23 | O3 | 87.3° | 88.1° |
| C21 | C22 | C23 | C28 | 178.9° | 179.5° |
| C21 | C22 | C28 | C29 | 0.6° | 0.6° |
| C22 | C21 | C20 | C30 | 0.8° | 0.3° |
| C21 | C22 | C23 | C27 | 151.6° | 154.9° |
| C21 | C22 | C28 | N5 | 179.6° | 178.8° |
| C21 | C22 | C23 | H22 | 31.2° | 33.4° |
| C23 | O3 | C24 | C25 | 38.2° | 62.3° |
| O3 | C23 | C27 | C26 | 67.0° | 61.4° |
| O3 | C23 | C22 | C27 | 121.1° | 117.0° |
| O3 | C23 | C22 | H22 | 118.5° | 121.5° |
| O3 | C23 | C22 | C28 | 93.8° | 91.4° |
| O3 | C23 | C27 | H22 | 121.1° | 121.7° |
| C23 | O3 | C24 | H24 | 82.6° | 177.7° |
| C23 | O3 | C24 | H23 | 159.0° | 57.8° |
| O3 | C23 | C27 | H28 | 172.6° | 178.9° |
| O3 | C23 | C27 | H29 | 53.4° | 58.2° |
| O3 | C24 | C25 | H24 | 120.8° | 120.0° |
| O3 | C24 | C25 | H23 | 120.8° | 120.1° |
| O3 | C24 | C25 | O4 | 80.5° | 64.8° |
| O3 | C24 | C25 | C26 | 38.6° | 55.4° |
| C24 | O3 | C23 | C22 | 70.9° | 52.3° |
| C24 | O3 | C23 | C27 | 50.7° | 65.6° |
| O3 | C24 | H24 | H23 | 117.6° | 119.9° |
| C24 | O3 | C23 | H22 | 171.6° | 173.3° |
| O3 | C24 | C25 | H25 | 158.0° | 175.6° |
| C24 | C25 | O4 | C26 | 119.8° | 120.7° |
| C24 | C25 | O4 | H25 | 119.0° | 119.7° |
| C24 | C25 | C26 | H25 | 118.7° | 120.2° |
| C24 | C25 | C26 | C27 | 50.8° | 54.4° |
| C24 | C25 | C26 | N5 | 72.8° | 64.6° |
| C25 | C24 | H24 | H23 | 117.6° | 120.0° |
| C24 | C25 | C26 | H27 | 168.8° | 174.5° |
| C24 | C25 | O4 | H26 | 180.0° | 59.3° |
| O4 | C25 | C26 | H25 | 122.8° | 119.6° |
| O4 | C25 | C26 | C27 | 67.7° | 65.8° |
| O4 | C25 | C26 | N5 | 168.6° | 175.1° |
| O4 | C25 | C24 | H24 | 158.7° | 55.2° |
| O4 | C25 | C24 | H23 | 40.2° | 175.1° |
| O4 | C25 | C26 | H27 | 50.3° | 54.3° |
| C25 | C26 | C27 | N5 | 119.6° | 120.4° |
| C25 | C26 | C27 | H27 | 117.8° | 120.1° |
| C25 | C26 | N5 | H27 | 117.9° | 120.8° |
| C25 | C26 | C27 | C23 | 67.5° | 57.3° |
| C25 | C26 | N5 | C28 | 96.0° | 79.1° |
| C26 | C25 | C24 | H24 | 82.2° | 175.4° |
| C26 | C25 | C24 | H23 | 159.3° | 64.7° |
| C25 | C26 | C27 | H28 | 172.1° | 177.0° |
| C25 | C26 | C27 | H29 | 52.8° | 62.4° |
| C25 | C26 | N5 | H30 | 25.4° | 100.8° |
| C26 | C25 | O4 | H26 | 60.2° | 180.0° |
| C27 | C26 | N5 | H27 | 122.5° | 119.4° |
| C26 | C27 | C23 | C22 | 52.3° | 55.4° |
| C26 | C27 | C23 | H28 | 120.4° | 119.6° |
| C26 | C27 | C23 | H29 | 120.3° | 119.6° |
| C27 | C26 | N5 | C28 | 23.6° | 40.7° |
| C26 | C27 | C23 | H22 | 171.9° | 176.8° |
| C27 | C26 | C25 | H25 | 169.5° | 174.6° |
| C26 | C27 | H28 | H29 | 118.9° | 120.6° |
| C27 | C26 | N5 | H30 | 145.0° | 139.4° |
| C26 | N5 | C28 | C22 | 2.5° | 9.9° |
| C26 | N5 | C28 | C29 | 177.7° | 170.7° |
| N5 | C26 | C27 | C23 | 52.1° | 63.1° |
| C26 | N5 | C28 | H30 | 121.4° | 179.9° |
| N5 | C26 | C25 | H25 | 45.9° | 55.6° |
| N5 | C26 | C27 | H28 | 68.3° | 56.6° |
| N5 | C26 | C27 | H29 | 172.4° | 177.2° |
| C23 | C22 | C28 | C29 | 179.4° | 178.9° |
| C22 | C23 | C27 | H22 | 119.6° | 121.5° |
| C23 | C22 | C28 | N5 | 0.7° | 1.7° |
| C23 | C22 | C21 | H21 | 1.2° | 0.9° |
| C22 | C23 | C27 | H28 | 68.0° | 64.3° |
| C22 | C23 | C27 | H29 | 172.7° | 175.0° |
| C22 | C28 | C29 | N5 | 179.8° | 179.4° |
| C22 | C28 | C29 | C30 | 0.6° | 0.1° |
| C28 | C22 | C23 | C27 | 27.3° | 25.6° |
| C28 | C22 | C21 | H21 | 179.9° | 179.6° |
| C28 | C22 | C23 | H22 | 147.6° | 147.1° |
| C22 | C28 | C29 | H31 | 179.4° | 179.6° |
| C22 | C28 | N5 | H30 | 118.9° | 170.2° |
| C28 | C29 | C30 | H31 | 180.0° | 179.7° |
| C28 | C29 | C30 | C20 | 0.1° | 0.6° |
| C28 | C29 | C30 | H32 | 179.9° | 179.8° |
| C29 | C28 | N5 | H30 | 60.9° | 9.2° |
| C29 | C30 | C20 | H32 | 180.0° | 179.6° |
| C30 | C29 | C28 | N5 | 179.6° | 179.3° |
| C8 | C3 | C4 | H3 | 178.6° | 179.7° |
| C3 | C8 | C7 | H6 | 179.9° | 179.9° |
| C8 | C3 | C2 | H2 | 169.5° | 157.7° |
| N2 | C18 | C17 | H14 | 115.8° | 91.9° |
| N2 | C18 | C17 | H15 | 122.5° | 145.0° |
| N2 | C18 | H16 | H17 | 122.6° | 122.5° |
| C15 | C10 | C11 | H8 | 179.4° | 179.7° |
| C10 | C15 | C14 | H11 | 179.4° | 180.0° |
| C30 | C20 | C21 | H21 | 179.2° | 179.7° |
| C30 | C20 | C19 | H19 | 167.5° | 149.9° |
| C30 | C20 | C19 | H20 | 70.8° | 29.9° |
| C20 | C30 | C29 | H31 | 179.9° | 179.7° |
| C23 | C27 | C26 | H27 | 174.7° | 177.4° |
| C23 | C27 | H28 | H29 | 118.9° | 120.7° |
| C28 | N5 | C26 | H27 | 146.0° | 160.1° |
| N5 | C28 | C29 | H31 | 0.4° | 1.0° |
| H1 | N1 | C2 | H2 | 157.9° | 145.2° |
| H3 | C4 | C5 | H4 | 1.5° | 0.4° |
| H4 | C5 | C6 | H5 | 0.8° | 0.1° |
| H5 | C6 | C7 | H6 | 0.0° | 0.0° |
| H6 | C7 | C8 | H7 | 0.1° | 0.0° |
| H10 | C13 | C12 | H9 | 0.8° | 0.3° |
| H10 | C13 | C14 | H11 | 1.1° | 0.1° |
| H14 | C17 | C16 | H12 | 25.7° | 16.5° |
| H14 | C17 | C16 | H13 | 95.8° | 138.3° |
| H14 | C17 | C18 | H16 | 3.3° | 27.1° |
| H14 | C17 | C18 | H17 | 125.1° | 149.7° |
| H15 | C17 | C16 | H12 | 147.4° | 106.6° |
| H15 | C17 | C16 | H13 | 25.9° | 15.2° |
| H15 | C17 | C18 | H16 | 118.4° | 96.0° |
| H15 | C17 | C18 | H17 | 3.4° | 26.6° |
| H24 | C24 | C25 | H25 | 37.2° | 64.4° |
| H23 | C24 | C25 | H25 | 81.2° | 55.5° |
| H27 | C26 | C25 | H25 | 72.5° | 65.3° |
| H27 | C26 | C27 | H28 | 54.3° | 62.9° |
| H27 | C26 | C27 | H29 | 64.9° | 57.7° |
| H27 | C26 | N5 | H30 | 92.6° | 20.0° |
| H8 | C11 | C12 | H9 | 0.0° | 0.4° |
| H19 | C19 | N4 | H18 | 67.1° | 120.1° |
| H20 | C19 | N4 | H18 | 171.2° | 119.9° |
| H22 | C23 | C27 | H28 | 51.5° | 57.2° |
| H22 | C23 | C27 | H29 | 67.7° | 63.5° |
| H25 | C25 | O4 | H26 | 60.9° | 60.4° |
| H31 | C29 | C30 | H32 | 0.1° | 0.1° |
