A1I5O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N | sing | 1.47Å | 1.46Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | N | sing | 1.46Å | 1.46Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| N | C1 | sing | 1.35Å | 1.42Å | |
| C4 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.50Å | |
| C1 | O | doub | 1.21Å | 1.22Å | |
| C9 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C10 | sing | 1.48Å | 1.48Å | |
| F | C16 | sing | 1.40Å | 1.33Å | |
| C10 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C14 | sing | 1.51Å | 1.51Å | |
| C16 | F1 | sing | 1.40Å | 1.33Å | |
| C16 | F2 | sing | 1.40Å | 1.33Å | |
| C14 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C20 | sing | 1.51Å | 1.52Å | |
| C13 | C17 | sing | 1.51Å | 1.51Å | |
| C23 | C22 | sing | 1.51Å | 1.52Å | |
| C23 | O2 | sing | 1.43Å | 1.42Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C20 | N1 | sing | 1.47Å | 1.46Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C21 | N1 | sing | 1.46Å | 1.46Å | |
| N1 | C22 | sing | 1.35Å | 1.35Å | |
| C22 | O1 | doub | 1.21Å | 1.22Å | |
| O2 | C24 | sing | 1.43Å | 1.42Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | C29 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C29 | C28 | sing | 1.53Å | 1.51Å | |
| C29 | F3 | sing | 1.40Å | 1.41Å | |
| N2 | C27 | sing | 1.47Å | 1.46Å | |
| N2 | C28 | sing | 1.47Å | 1.47Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C | H21 | sing | 1.09Å | 1.10Å | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C5 | H35 | sing | 1.08Å | 1.08Å | |
| C6 | H36 | sing | 1.08Å | 1.08Å | |
| N2 | H37 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N | C3 | 116.5° | 120.0° |
| C2 | N | C1 | 119.6° | 120.0° |
| N | C2 | H1 | 109.5° | 109.4° |
| N | C2 | H2 | 109.4° | 109.5° |
| N | C2 | H3 | 109.5° | 109.4° |
| C6 | C5 | C4 | 120.5° | 120.3° |
| C5 | C6 | C7 | 120.3° | 120.1° |
| C6 | C5 | H35 | 119.7° | 119.9° |
| C5 | C6 | H36 | 119.8° | 119.9° |
| C5 | C4 | C3 | 120.8° | 119.9° |
| C5 | C4 | C9 | 118.6° | 120.1° |
| C4 | C5 | H35 | 119.8° | 119.8° |
| N | C3 | C4 | 112.9° | 109.5° |
| C3 | N | C1 | 121.1° | 120.0° |
| N | C3 | H4 | 108.6° | 109.5° |
| N | C3 | H5 | 108.6° | 109.5° |
| C3 | C4 | C9 | 120.5° | 119.9° |
| C4 | C3 | H4 | 108.6° | 109.4° |
| C4 | C3 | H5 | 108.6° | 109.5° |
| C6 | C7 | C8 | 120.5° | 119.9° |
| C6 | C7 | H6 | 119.7° | 120.1° |
| C7 | C6 | H36 | 119.9° | 120.0° |
| N | C1 | C | 118.7° | 120.0° |
| N | C1 | O | 119.1° | 120.0° |
| C4 | C9 | C8 | 121.8° | 119.9° |
| C4 | C9 | H7 | 119.1° | 120.1° |
| C7 | C8 | C9 | 118.2° | 119.7° |
| C7 | C8 | C10 | 121.2° | 120.1° |
| C8 | C7 | H6 | 119.8° | 120.0° |
| C | C1 | O | 122.1° | 120.0° |
| C1 | C | H20 | 109.5° | 109.4° |
| C1 | C | H21 | 109.5° | 109.5° |
| C1 | C | H22 | 109.4° | 109.5° |
| C9 | C8 | C10 | 120.6° | 120.1° |
| C8 | C9 | H7 | 119.1° | 120.0° |
| C8 | C10 | C15 | 120.5° | 120.2° |
| C8 | C10 | C11 | 121.0° | 120.3° |
| F | C16 | C14 | 112.3° | 109.4° |
| F | C16 | F1 | 105.7° | 109.5° |
| F | C16 | F2 | 105.9° | 109.5° |
| C15 | C10 | C11 | 118.4° | 119.5° |
| C10 | C15 | C14 | 121.1° | 119.6° |
| C10 | C15 | H9 | 119.5° | 120.2° |
| C10 | C11 | C12 | 121.3° | 120.5° |
| C10 | C11 | H8 | 119.3° | 119.8° |
| C15 | C14 | C16 | 118.3° | 119.6° |
| C15 | C14 | C13 | 120.2° | 120.8° |
| C14 | C15 | H9 | 119.4° | 120.2° |
| C14 | C16 | F1 | 112.8° | 109.4° |
| C14 | C16 | F2 | 112.7° | 109.5° |
| C16 | C14 | C13 | 121.5° | 119.6° |
| F1 | C16 | F2 | 106.8° | 109.5° |
| C14 | C13 | C12 | 119.0° | 119.8° |
| C14 | C13 | C17 | 119.3° | 117.7° |
| C11 | C12 | C13 | 119.9° | 119.8° |
| C11 | C12 | C20 | 119.2° | 117.6° |
| C12 | C11 | H8 | 119.4° | 119.8° |
| C13 | C12 | C20 | 120.9° | 122.5° |
| C12 | C13 | C17 | 121.7° | 122.5° |
| C12 | C20 | N1 | 112.6° | 109.2° |
| C12 | C20 | C19 | 111.3° | 110.6° |
| C12 | C20 | H12 | 106.0° | 109.3° |
| C13 | C17 | C18 | 115.3° | 110.6° |
| C13 | C17 | H23 | 108.0° | 109.2° |
| C13 | C17 | H24 | 108.0° | 109.2° |
| C22 | C23 | O2 | 111.0° | 109.5° |
| C23 | C22 | N1 | 117.7° | 120.0° |
| C23 | C22 | O1 | 120.3° | 120.0° |
| C22 | C23 | H27 | 109.1° | 109.4° |
| C22 | C23 | H28 | 109.1° | 109.5° |
| C23 | O2 | C24 | 113.4° | 114.0° |
| O2 | C23 | H27 | 109.1° | 109.5° |
| O2 | C23 | H28 | 109.1° | 109.5° |
| C17 | C18 | C19 | 111.3° | 108.4° |
| C18 | C17 | H23 | 108.0° | 109.3° |
| C18 | C17 | H24 | 108.0° | 109.2° |
| C17 | C18 | H25 | 109.0° | 109.7° |
| C17 | C18 | H26 | 109.0° | 109.7° |
| N1 | C20 | C19 | 113.7° | 109.2° |
| C20 | N1 | C21 | 117.4° | 120.1° |
| C20 | N1 | C22 | 120.8° | 120.0° |
| N1 | C20 | H12 | 106.7° | 109.3° |
| C20 | C19 | C18 | 109.6° | 108.4° |
| C20 | C19 | H10 | 109.4° | 109.7° |
| C20 | C19 | H11 | 109.4° | 109.7° |
| C19 | C20 | H12 | 106.0° | 109.2° |
| C21 | N1 | C22 | 121.8° | 120.0° |
| N1 | C21 | H13 | 109.5° | 109.5° |
| N1 | C21 | H14 | 109.5° | 109.5° |
| N1 | C21 | H15 | 109.5° | 109.4° |
| N1 | C22 | O1 | 121.9° | 120.0° |
| O2 | C24 | C25 | 109.2° | 109.4° |
| O2 | C24 | H16 | 109.5° | 109.5° |
| O2 | C24 | H17 | 109.5° | 109.5° |
| C24 | C25 | C26 | 111.8° | 109.5° |
| C24 | C25 | C29 | 112.6° | 109.5° |
| C25 | C24 | H16 | 109.5° | 109.5° |
| C25 | C24 | H17 | 109.5° | 109.5° |
| C24 | C25 | H29 | 107.6° | 109.5° |
| C18 | C19 | H10 | 109.4° | 109.7° |
| C18 | C19 | H11 | 109.5° | 109.7° |
| C19 | C18 | H25 | 109.0° | 109.6° |
| C19 | C18 | H26 | 109.0° | 109.6° |
| C26 | C25 | C29 | 109.7° | 109.2° |
| C25 | C26 | C27 | 111.0° | 109.3° |
| C26 | C25 | H29 | 107.4° | 109.5° |
| C25 | C26 | H30 | 109.1° | 109.5° |
| C25 | C26 | H31 | 109.1° | 109.5° |
| C25 | C29 | C28 | 108.4° | 109.3° |
| C25 | C29 | F3 | 109.8° | 109.5° |
| C29 | C25 | H29 | 107.4° | 109.6° |
| C25 | C29 | H34 | 109.0° | 109.5° |
| C26 | C27 | N2 | 109.5° | 109.5° |
| C26 | C27 | H18 | 109.5° | 109.5° |
| C26 | C27 | H19 | 109.4° | 109.4° |
| C27 | C26 | H30 | 109.1° | 109.5° |
| C27 | C26 | H31 | 109.1° | 109.5° |
| C28 | C29 | F3 | 109.5° | 109.5° |
| C29 | C28 | N2 | 112.8° | 109.5° |
| C29 | C28 | H32 | 108.6° | 109.5° |
| C29 | C28 | H33 | 108.6° | 109.5° |
| C28 | C29 | H34 | 109.2° | 109.5° |
| F3 | C29 | H34 | 110.7° | 109.5° |
| C27 | N2 | C28 | 110.9° | 111.2° |
| N2 | C27 | H18 | 109.4° | 109.5° |
| N2 | C27 | H19 | 109.5° | 109.4° |
| C27 | N2 | H37 | 109.1° | 111.0° |
| N2 | C28 | H32 | 108.6° | 109.5° |
| N2 | C28 | H33 | 108.6° | 109.5° |
| C28 | N2 | H37 | 109.1° | 111.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H10 | C19 | H11 | 109.5° | 109.6° |
| H13 | C21 | H14 | 109.4° | 109.4° |
| H13 | C21 | H15 | 109.4° | 109.5° |
| H14 | C21 | H15 | 109.5° | 109.5° |
| H16 | C24 | H17 | 109.5° | 109.5° |
| H18 | C27 | H19 | 109.5° | 109.5° |
| H20 | C | H21 | 109.5° | 109.5° |
| H20 | C | H22 | 109.4° | 109.5° |
| H21 | C | H22 | 109.5° | 109.5° |
| H23 | C17 | H24 | 109.5° | 109.2° |
| H25 | C18 | H26 | 109.4° | 109.7° |
| H27 | C23 | H28 | 109.5° | 109.5° |
| H30 | C26 | H31 | 109.4° | 109.6° |
| H32 | C28 | H33 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N | C3 | C1 | 160.9° | 179.9° |
| C2 | N | C3 | C4 | 71.7° | 90.0° |
| C2 | N | C1 | C | 19.6° | 0.0° |
| C2 | N | C1 | O | 160.4° | 179.7° |
| N | C2 | H1 | H2 | 120.0° | 120.0° |
| N | C2 | H1 | H3 | 120.0° | 119.9° |
| N | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | N | C3 | H4 | 167.7° | 150.0° |
| C2 | N | C3 | H5 | 48.8° | 30.1° |
| C6 | C5 | C4 | H35 | 180.0° | 179.5° |
| C6 | C5 | C4 | C3 | 180.0° | 179.7° |
| C5 | C6 | C7 | H36 | 180.0° | 179.5° |
| C6 | C5 | C4 | C9 | 0.1° | 0.2° |
| C5 | C6 | C7 | C8 | 0.7° | 0.5° |
| C5 | C6 | C7 | H6 | 179.3° | 179.8° |
| C5 | C4 | C3 | N | 143.3° | 90.0° |
| C5 | C4 | C3 | C9 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.2° | 0.5° |
| C5 | C4 | C9 | C8 | 0.3° | 0.0° |
| C5 | C4 | C3 | H4 | 96.2° | 150.0° |
| C5 | C4 | C3 | H5 | 22.8° | 30.0° |
| C5 | C4 | C9 | H7 | 179.7° | 180.0° |
| C4 | C5 | C6 | H36 | 179.9° | 180.0° |
| N | C3 | C4 | H4 | 120.5° | 120.0° |
| N | C3 | C4 | H5 | 120.5° | 120.0° |
| N | C3 | C4 | C9 | 36.8° | 90.0° |
| C3 | N | C1 | C | 179.9° | 180.0° |
| C3 | N | C1 | O | 0.2° | 0.3° |
| C3 | N | C2 | H1 | 180.0° | 90.0° |
| C3 | N | C2 | H2 | 60.0° | 150.0° |
| C3 | N | C2 | H3 | 60.0° | 29.9° |
| N | C3 | H4 | H5 | 118.4° | 120.0° |
| C4 | C3 | N | C1 | 89.1° | 90.0° |
| C3 | C4 | C9 | C8 | 179.6° | 180.0° |
| C4 | C3 | H4 | H5 | 118.4° | 120.0° |
| C3 | C4 | C9 | H7 | 0.4° | 0.0° |
| C3 | C4 | C5 | H35 | 0.0° | 0.3° |
| C6 | C7 | C8 | H6 | 180.0° | 179.7° |
| C6 | C7 | C8 | C9 | 1.1° | 0.2° |
| C6 | C7 | C8 | C10 | 179.7° | 179.7° |
| C7 | C6 | C5 | H35 | 179.8° | 180.0° |
| N | C1 | C | O | 179.9° | 179.7° |
| C1 | N | C2 | H1 | 18.8° | 90.1° |
| C1 | N | C2 | H2 | 101.2° | 30.0° |
| C1 | N | C2 | H3 | 138.9° | 150.0° |
| C1 | N | C3 | H4 | 31.4° | 30.0° |
| C1 | N | C3 | H5 | 150.4° | 150.0° |
| N | C1 | C | H20 | 179.9° | 179.7° |
| N | C1 | C | H21 | 60.1° | 60.3° |
| N | C1 | C | H22 | 59.9° | 59.7° |
| C4 | C9 | C8 | C7 | 0.9° | 0.0° |
| C4 | C9 | C8 | H7 | 180.0° | 180.0° |
| C4 | C9 | C8 | C10 | 179.5° | 180.0° |
| C9 | C4 | C3 | H4 | 83.8° | 30.0° |
| C9 | C4 | C3 | H5 | 157.3° | 150.0° |
| C9 | C4 | C5 | H35 | 180.0° | 179.7° |
| C7 | C8 | C9 | C10 | 178.6° | 180.0° |
| C7 | C8 | C10 | C15 | 36.8° | 180.0° |
| C7 | C8 | C10 | C11 | 143.9° | 0.3° |
| C7 | C8 | C9 | H7 | 179.2° | 180.0° |
| C8 | C7 | C6 | H36 | 179.3° | 180.0° |
| C1 | C | H20 | H21 | 120.0° | 120.0° |
| C1 | C | H20 | H22 | 120.0° | 120.0° |
| C1 | C | H21 | H22 | 120.0° | 120.0° |
| O | C1 | C | H20 | 0.0° | 0.0° |
| O | C1 | C | H21 | 120.0° | 120.0° |
| O | C1 | C | H22 | 120.0° | 120.0° |
| C9 | C8 | C10 | C15 | 141.8° | 0.0° |
| C9 | C8 | C10 | C11 | 37.6° | 179.7° |
| C9 | C8 | C7 | H6 | 178.9° | 180.0° |
| C8 | C10 | C15 | C11 | 179.4° | 179.7° |
| C8 | C10 | C15 | C14 | 179.8° | 179.9° |
| C8 | C10 | C11 | C12 | 178.5° | 180.0° |
| C10 | C8 | C7 | H6 | 0.3° | 0.0° |
| C10 | C8 | C9 | H7 | 0.5° | 0.0° |
| C8 | C10 | C11 | H8 | 1.5° | 0.0° |
| C8 | C10 | C15 | H9 | 0.2° | 0.1° |
| F | C16 | C14 | C15 | 9.3° | 119.7° |
| F | C16 | C14 | F1 | 119.3° | 120.0° |
| F | C16 | C14 | F2 | 119.6° | 120.0° |
| F | C16 | F1 | F2 | 112.5° | 120.1° |
| F | C16 | C14 | C13 | 170.0° | 60.0° |
| C10 | C15 | C14 | H9 | 180.0° | 179.8° |
| C10 | C15 | C14 | C16 | 179.8° | 179.8° |
| C10 | C15 | C14 | C13 | 0.5° | 0.5° |
| C15 | C10 | C11 | C12 | 0.9° | 0.3° |
| C15 | C10 | C11 | H8 | 179.1° | 179.8° |
| C11 | C10 | C15 | C14 | 0.4° | 0.4° |
| C10 | C11 | C12 | H8 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 2.1° | 0.3° |
| C10 | C11 | C12 | C20 | 179.3° | 179.3° |
| C11 | C10 | C15 | H9 | 179.6° | 179.8° |
| C15 | C14 | C16 | C13 | 179.3° | 179.7° |
| C15 | C14 | C16 | F1 | 128.6° | 0.3° |
| C15 | C14 | C16 | F2 | 110.3° | 120.3° |
| C15 | C14 | C13 | C12 | 0.7° | 0.5° |
| C15 | C14 | C13 | C17 | 179.6° | 179.4° |
| C14 | C16 | F1 | F2 | 124.4° | 120.0° |
| C16 | C14 | C13 | C12 | 178.6° | 179.8° |
| C16 | C14 | C13 | C17 | 0.3° | 0.4° |
| C16 | C14 | C15 | H9 | 0.2° | 0.0° |
| F1 | C16 | C14 | C13 | 50.7° | 180.0° |
| F2 | C16 | C14 | C13 | 70.4° | 60.0° |
| C14 | C13 | C12 | C11 | 2.0° | 0.4° |
| C14 | C13 | C12 | C17 | 178.9° | 179.9° |
| C14 | C13 | C12 | C20 | 179.2° | 179.2° |
| C14 | C13 | C17 | C18 | 174.8° | 162.1° |
| C13 | C14 | C15 | H9 | 179.5° | 179.7° |
| C14 | C13 | C17 | H23 | 64.3° | 77.6° |
| C14 | C13 | C17 | H24 | 54.0° | 41.9° |
| C11 | C12 | C13 | C20 | 177.2° | 179.6° |
| C11 | C12 | C13 | C17 | 179.1° | 179.5° |
| C11 | C12 | C20 | N1 | 24.4° | 42.3° |
| C11 | C12 | C20 | C19 | 153.3° | 162.6° |
| C11 | C12 | C20 | H12 | 91.9° | 77.2° |
| C12 | C13 | C17 | C18 | 4.0° | 18.0° |
| C13 | C12 | C20 | N1 | 152.8° | 138.1° |
| C13 | C12 | C20 | C19 | 23.9° | 17.8° |
| C13 | C12 | C11 | H8 | 177.9° | 179.8° |
| C13 | C12 | C20 | H12 | 90.9° | 102.4° |
| C12 | C13 | C17 | H23 | 116.8° | 102.3° |
| C12 | C13 | C17 | H24 | 124.9° | 138.3° |
| C20 | C12 | C13 | C17 | 2.0° | 0.9° |
| C12 | C20 | N1 | C19 | 127.7° | 121.1° |
| C12 | C20 | N1 | H12 | 115.9° | 119.5° |
| C12 | C20 | C19 | H12 | 114.8° | 120.3° |
| C12 | C20 | N1 | C21 | 121.2° | 60.0° |
| C12 | C20 | N1 | C22 | 61.3° | 120.0° |
| C12 | C20 | C19 | C18 | 55.0° | 51.1° |
| C20 | C12 | C11 | H8 | 0.7° | 0.6° |
| C12 | C20 | C19 | H10 | 175.0° | 170.9° |
| C12 | C20 | C19 | H11 | 65.0° | 68.7° |
| C13 | C17 | C18 | H23 | 120.8° | 120.3° |
| C13 | C17 | C18 | H24 | 120.9° | 120.2° |
| C13 | C17 | C18 | C19 | 35.8° | 51.3° |
| C13 | C17 | H23 | H24 | 117.4° | 119.4° |
| C13 | C17 | C18 | H25 | 156.0° | 68.4° |
| C13 | C17 | C18 | H26 | 84.6° | 171.0° |
| C22 | C23 | O2 | H27 | 120.2° | 120.0° |
| C22 | C23 | O2 | H28 | 120.2° | 120.0° |
| C23 | C22 | N1 | C20 | 146.9° | 180.0° |
| C23 | C22 | N1 | C21 | 35.8° | 0.0° |
| C23 | C22 | N1 | O1 | 177.3° | 179.9° |
| C22 | C23 | O2 | C24 | 141.5° | 180.0° |
| C22 | C23 | H27 | H28 | 119.3° | 120.0° |
| O2 | C23 | C22 | N1 | 75.7° | 180.0° |
| O2 | C23 | C22 | O1 | 101.6° | 0.1° |
| C23 | O2 | C24 | C25 | 69.7° | 180.0° |
| C23 | O2 | C24 | H16 | 170.4° | 60.0° |
| C23 | O2 | C24 | H17 | 50.2° | 60.0° |
| O2 | C23 | H27 | H28 | 119.3° | 120.0° |
| C17 | C18 | C19 | C20 | 61.7° | 69.9° |
| C17 | C18 | C19 | H25 | 120.3° | 119.8° |
| C17 | C18 | C19 | H26 | 120.3° | 119.7° |
| C17 | C18 | C19 | H10 | 178.3° | 170.4° |
| C17 | C18 | C19 | H11 | 58.3° | 49.8° |
| C18 | C17 | H23 | H24 | 117.4° | 119.5° |
| C17 | C18 | H25 | H26 | 119.1° | 120.6° |
| N1 | C20 | C19 | H12 | 116.9° | 119.5° |
| C20 | N1 | C21 | C22 | 177.4° | 180.0° |
| C20 | N1 | C22 | O1 | 35.8° | 0.0° |
| N1 | C20 | C19 | C18 | 176.7° | 171.3° |
| N1 | C20 | C19 | H10 | 56.7° | 68.9° |
| N1 | C20 | C19 | H11 | 63.3° | 51.5° |
| C20 | N1 | C21 | H13 | 180.0° | 90.0° |
| C20 | N1 | C21 | H14 | 60.0° | 150.0° |
| C20 | N1 | C21 | H15 | 60.0° | 30.0° |
| C19 | C20 | N1 | C21 | 111.1° | 61.1° |
| C19 | C20 | N1 | C22 | 66.4° | 118.9° |
| C20 | C19 | C18 | H10 | 120.0° | 119.7° |
| C20 | C19 | C18 | H11 | 120.0° | 119.7° |
| C20 | C19 | H10 | H11 | 119.9° | 120.5° |
| C20 | C19 | C18 | H25 | 178.0° | 49.8° |
| C20 | C19 | C18 | H26 | 58.6° | 170.4° |
| C21 | N1 | C22 | O1 | 141.5° | 180.0° |
| C21 | N1 | C20 | H12 | 5.3° | 179.5° |
| N1 | C21 | H13 | H14 | 120.0° | 120.0° |
| N1 | C21 | H13 | H15 | 120.0° | 119.9° |
| N1 | C21 | H14 | H15 | 120.0° | 120.0° |
| C22 | N1 | C20 | H12 | 177.2° | 0.6° |
| C22 | N1 | C21 | H13 | 2.5° | 90.0° |
| C22 | N1 | C21 | H14 | 117.4° | 30.0° |
| C22 | N1 | C21 | H15 | 122.5° | 150.1° |
| N1 | C22 | C23 | H27 | 44.5° | 60.0° |
| N1 | C22 | C23 | H28 | 164.1° | 60.0° |
| O1 | C22 | C23 | H27 | 138.1° | 120.1° |
| O1 | C22 | C23 | H28 | 18.6° | 119.9° |
| O2 | C24 | C25 | H16 | 119.9° | 120.0° |
| O2 | C24 | C25 | H17 | 119.9° | 120.0° |
| O2 | C24 | C25 | C26 | 159.8° | 175.0° |
| O2 | C24 | C25 | C29 | 35.7° | 65.3° |
| O2 | C24 | H16 | H17 | 120.2° | 120.0° |
| C24 | O2 | C23 | H27 | 98.2° | 60.0° |
| C24 | O2 | C23 | H28 | 21.3° | 60.0° |
| O2 | C24 | C25 | H29 | 82.5° | 54.9° |
| C24 | C25 | C26 | C29 | 125.7° | 119.9° |
| C24 | C25 | C26 | H29 | 117.8° | 120.1° |
| C24 | C25 | C29 | H29 | 118.3° | 120.2° |
| C24 | C25 | C26 | C27 | 159.1° | 177.6° |
| C24 | C25 | C29 | C28 | 169.9° | 177.5° |
| C24 | C25 | C29 | F3 | 70.5° | 57.6° |
| C25 | C24 | H16 | H17 | 120.1° | 120.0° |
| C24 | C25 | C26 | H30 | 38.9° | 62.5° |
| C24 | C25 | C26 | H31 | 80.6° | 57.6° |
| C24 | C25 | C29 | H34 | 51.0° | 62.5° |
| C18 | C19 | H10 | H11 | 120.0° | 120.6° |
| C18 | C19 | C20 | H12 | 59.8° | 69.2° |
| C19 | C18 | C17 | H23 | 85.1° | 69.0° |
| C19 | C18 | C17 | H24 | 156.6° | 171.5° |
| C19 | C18 | H25 | H26 | 119.2° | 120.5° |
| C26 | C25 | C29 | H29 | 116.4° | 119.9° |
| C25 | C26 | C27 | H30 | 120.2° | 119.9° |
| C25 | C26 | C27 | H31 | 120.2° | 119.9° |
| C26 | C25 | C29 | C28 | 64.9° | 57.7° |
| C26 | C25 | C29 | F3 | 54.8° | 62.3° |
| C25 | C26 | C27 | N2 | 30.4° | 59.1° |
| C26 | C25 | C24 | H16 | 39.9° | 55.0° |
| C26 | C25 | C24 | H17 | 80.2° | 65.0° |
| C25 | C26 | C27 | H18 | 89.6° | 179.2° |
| C25 | C26 | C27 | H19 | 150.5° | 60.8° |
| C25 | C26 | H30 | H31 | 119.3° | 120.1° |
| C26 | C25 | C29 | H34 | 176.3° | 177.6° |
| C29 | C25 | C26 | C27 | 33.4° | 57.7° |
| C25 | C29 | C28 | F3 | 119.8° | 120.0° |
| C25 | C29 | C28 | H34 | 118.7° | 119.9° |
| C25 | C29 | F3 | H34 | 120.5° | 120.1° |
| C25 | C29 | C28 | N2 | 28.8° | 59.2° |
| C29 | C25 | C24 | H16 | 84.2° | 174.7° |
| C29 | C25 | C24 | H17 | 155.7° | 54.6° |
| C29 | C25 | C26 | H30 | 86.8° | 177.6° |
| C29 | C25 | C26 | H31 | 153.7° | 62.3° |
| C25 | C29 | C28 | H32 | 91.6° | 60.8° |
| C25 | C29 | C28 | H33 | 149.4° | 179.2° |
| C26 | C27 | N2 | H18 | 120.0° | 120.1° |
| C26 | C27 | N2 | H19 | 120.0° | 120.0° |
| C26 | C27 | N2 | C28 | 68.8° | 61.7° |
| C26 | C27 | H18 | H19 | 119.9° | 120.0° |
| C27 | C26 | C25 | H29 | 83.0° | 62.3° |
| C27 | C26 | H30 | H31 | 119.3° | 120.1° |
| C26 | C27 | N2 | H37 | 171.0° | 62.4° |
| C28 | C29 | F3 | H34 | 120.5° | 120.1° |
| C29 | C28 | N2 | C27 | 36.0° | 61.7° |
| C29 | C28 | N2 | H32 | 120.5° | 120.0° |
| C29 | C28 | N2 | H33 | 120.5° | 120.0° |
| C28 | C29 | C25 | H29 | 51.5° | 62.3° |
| C29 | C28 | H32 | H33 | 118.5° | 120.0° |
| C29 | C28 | N2 | H37 | 156.2° | 62.4° |
| F3 | C29 | C28 | N2 | 91.0° | 60.8° |
| F3 | C29 | C25 | H29 | 171.2° | 177.8° |
| F3 | C29 | C28 | H32 | 148.5° | 179.2° |
| F3 | C29 | C28 | H33 | 29.5° | 59.3° |
| C27 | N2 | C28 | H37 | 120.2° | 124.1° |
| N2 | C27 | H18 | H19 | 120.0° | 120.0° |
| N2 | C27 | C26 | H30 | 150.7° | 179.1° |
| N2 | C27 | C26 | H31 | 89.8° | 60.8° |
| C27 | N2 | C28 | H32 | 156.5° | 58.3° |
| C27 | N2 | C28 | H33 | 84.5° | 178.2° |
| C28 | N2 | C27 | H18 | 51.2° | 178.2° |
| C28 | N2 | C27 | H19 | 171.2° | 58.2° |
| N2 | C28 | H32 | H33 | 118.5° | 120.0° |
| N2 | C28 | C29 | H34 | 147.6° | 179.1° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H6 | C7 | C6 | H36 | 0.7° | 0.3° |
| H10 | C19 | C20 | H12 | 60.2° | 50.6° |
| H10 | C19 | C18 | H25 | 58.0° | 69.9° |
| H10 | C19 | C18 | H26 | 61.4° | 50.6° |
| H11 | C19 | C20 | H12 | 179.8° | 171.0° |
| H11 | C19 | C18 | H25 | 62.0° | 169.6° |
| H11 | C19 | C18 | H26 | 178.6° | 69.9° |
| H13 | C21 | H14 | H15 | 120.0° | 120.0° |
| H16 | C24 | C25 | H29 | 157.6° | 65.1° |
| H17 | C24 | C25 | H29 | 37.5° | 174.9° |
| H18 | C27 | C26 | H30 | 30.7° | 60.9° |
| H18 | C27 | C26 | H31 | 150.2° | 59.3° |
| H18 | C27 | N2 | H37 | 69.0° | 57.7° |
| H19 | C27 | C26 | H30 | 89.3° | 59.1° |
| H19 | C27 | C26 | H31 | 30.2° | 179.2° |
| H19 | C27 | N2 | H37 | 51.0° | 177.6° |
| H20 | C | H21 | H22 | 120.0° | 120.1° |
| H23 | C17 | C18 | H25 | 35.2° | 171.3° |
| H23 | C17 | C18 | H26 | 154.6° | 50.7° |
| H24 | C17 | C18 | H25 | 83.1° | 51.8° |
| H24 | C17 | C18 | H26 | 36.3° | 68.8° |
| H29 | C25 | C26 | H30 | 156.7° | 57.6° |
| H29 | C25 | C26 | H31 | 37.2° | 177.8° |
| H29 | C25 | C29 | H34 | 67.3° | 57.7° |
| H32 | C28 | C29 | H34 | 27.1° | 59.1° |
| H32 | C28 | N2 | H37 | 83.3° | 177.6° |
| H33 | C28 | C29 | H34 | 91.9° | 60.8° |
| H33 | C28 | N2 | H37 | 35.7° | 57.6° |
| H35 | C5 | C6 | H36 | 0.1° | 0.5° |
