IM8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.38Å | 1.45Å | Aromatic |
| C2 | C1 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.39Å | 1.45Å | Aromatic |
| C3 | O | sing | 1.36Å | 1.42Å | |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C | doub | 1.39Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | O | sing | 1.43Å | 1.41Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H63 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | doub | 1.34Å | 1.41Å | Aromatic |
| C7 | C1 | sing | 1.47Å | 1.43Å | Aromatic |
| C7 | C17 | sing | 1.51Å | 1.56Å | |
| C8 | C16 | sing | 1.51Å | 1.49Å | |
| C8 | N | sing | 1.37Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.48Å | 1.51Å | |
| C9 | N | sing | 1.35Å | 1.35Å | |
| C9 | O1 | doub | 1.22Å | 1.22Å | |
| C | C1 | sing | 1.41Å | 1.39Å | Aromatic |
| C | N | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.42Å | Aromatic |
| C10 | C15 | doub | 1.40Å | 1.44Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.42Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | doub | 1.39Å | 1.42Å | Aromatic |
| C13 | CL | sing | 1.74Å | 1.71Å | |
| C14 | C15 | sing | 1.38Å | 1.42Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.51Å | 1.42Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | O2 | doub | 1.21Å | 1.24Å | |
| C18 | N2 | sing | 1.35Å | 1.34Å | |
| O3 | C20 | sing | 1.43Å | 1.42Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| N2 | C19 | sing | 1.47Å | 1.47Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.47Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 115.8° | 119.6° |
| C3 | C2 | H2 | 122.1° | 120.2° |
| C2 | C3 | C4 | 119.8° | 120.2° |
| C2 | C3 | O | 118.7° | 119.9° |
| C1 | C2 | H2 | 122.1° | 120.2° |
| C2 | C1 | C7 | 122.3° | 133.8° |
| C2 | C1 | C | 123.9° | 120.0° |
| C4 | C3 | O | 121.5° | 119.9° |
| C3 | C4 | C5 | 121.9° | 120.6° |
| C3 | C4 | H4 | 119.1° | 119.7° |
| C3 | O | C6 | 121.3° | 106.8° |
| C5 | C4 | H4 | 119.1° | 119.7° |
| C4 | C5 | C | 117.0° | 120.0° |
| C4 | C5 | H5 | 121.5° | 120.0° |
| C | C5 | H5 | 121.5° | 120.0° |
| C5 | C | C1 | 121.6° | 119.5° |
| C5 | C | N | 133.8° | 133.4° |
| O | C6 | H61 | 109.5° | 109.5° |
| O | C6 | H62 | 109.5° | 109.5° |
| O | C6 | H63 | 109.5° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| H61 | C6 | H63 | 109.4° | 109.4° |
| H62 | C6 | H63 | 109.5° | 109.4° |
| C8 | C7 | C1 | 100.8° | 107.2° |
| C8 | C7 | C17 | 130.6° | 126.4° |
| C7 | C8 | C16 | 124.1° | 125.1° |
| C7 | C8 | N | 111.7° | 109.9° |
| C1 | C7 | C17 | 128.1° | 126.5° |
| C7 | C1 | C | 113.8° | 106.2° |
| C7 | C17 | C18 | 121.4° | 109.5° |
| C7 | C17 | H171 | 102.9° | 109.5° |
| C7 | C17 | H172 | 105.7° | 109.5° |
| C16 | C8 | N | 124.1° | 125.0° |
| C8 | C16 | H161 | 109.4° | 109.5° |
| C8 | C16 | H162 | 109.5° | 109.5° |
| C8 | C16 | H163 | 109.5° | 109.5° |
| C8 | N | C9 | 124.6° | 125.2° |
| C8 | N | C | 109.1° | 109.7° |
| C10 | C9 | N | 123.7° | 120.0° |
| C10 | C9 | O1 | 117.3° | 120.0° |
| C9 | C10 | C11 | 122.5° | 120.1° |
| C9 | C10 | C15 | 118.9° | 120.1° |
| N | C9 | O1 | 119.0° | 120.0° |
| C9 | N | C | 126.3° | 125.2° |
| C1 | C | N | 104.7° | 107.1° |
| C11 | C10 | C15 | 118.6° | 119.7° |
| C10 | C11 | C12 | 120.1° | 119.8° |
| C10 | C11 | H11 | 120.0° | 120.1° |
| C10 | C15 | C14 | 121.2° | 119.9° |
| C10 | C15 | H15 | 119.4° | 120.1° |
| C12 | C11 | H11 | 119.9° | 120.1° |
| C11 | C12 | C13 | 120.7° | 120.2° |
| C11 | C12 | H12 | 119.7° | 119.9° |
| C13 | C12 | H12 | 119.7° | 119.9° |
| C12 | C13 | C14 | 119.9° | 120.3° |
| C12 | C13 | CL | 121.0° | 119.9° |
| C14 | C13 | CL | 119.2° | 119.8° |
| C13 | C14 | C15 | 119.6° | 120.1° |
| C13 | C14 | H14 | 120.2° | 119.9° |
| C15 | C14 | H14 | 120.2° | 120.0° |
| C14 | C15 | H15 | 119.4° | 120.1° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H161 | C16 | H163 | 109.5° | 109.4° |
| H162 | C16 | H163 | 109.4° | 109.5° |
| C18 | C17 | H171 | 102.9° | 109.4° |
| C18 | C17 | H172 | 105.7° | 109.5° |
| C17 | C18 | O2 | 118.8° | 120.0° |
| C17 | C18 | N2 | 120.2° | 120.0° |
| H171 | C17 | H172 | 119.4° | 109.5° |
| O2 | C18 | N2 | 120.9° | 120.0° |
| C18 | N2 | C19 | 127.5° | 120.0° |
| C18 | N2 | HN2 | 116.3° | 120.0° |
| C20 | O3 | HO3 | 109.5° | 106.9° |
| O3 | C20 | C19 | 113.1° | 109.5° |
| O3 | C20 | H201 | 107.4° | 109.5° |
| O3 | C20 | H202 | 108.2° | 109.5° |
| C19 | N2 | HN2 | 116.2° | 120.1° |
| N2 | C19 | C20 | 109.7° | 109.5° |
| N2 | C19 | C21 | 106.6° | 109.4° |
| N2 | C19 | H19 | 113.4° | 109.5° |
| C20 | C19 | C21 | 115.2° | 109.4° |
| C20 | C19 | H19 | 104.4° | 109.5° |
| C19 | C20 | H201 | 107.4° | 109.5° |
| C19 | C20 | H202 | 108.3° | 109.5° |
| C21 | C19 | H19 | 107.7° | 109.5° |
| C19 | C21 | C22 | 118.6° | 109.4° |
| C19 | C21 | H211 | 104.4° | 109.5° |
| C19 | C21 | H212 | 106.5° | 109.5° |
| H201 | C20 | H202 | 112.4° | 109.4° |
| C22 | C21 | H211 | 104.4° | 109.5° |
| C22 | C21 | H212 | 106.6° | 109.4° |
| C21 | C22 | H221 | 109.4° | 109.5° |
| C21 | C22 | H222 | 109.5° | 109.5° |
| C21 | C22 | H223 | 109.5° | 109.5° |
| H211 | C21 | H212 | 116.9° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| H221 | C22 | H223 | 109.5° | 109.5° |
| H222 | C22 | H223 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H2 | 180.0° | 179.7° |
| C2 | C3 | C4 | O | 179.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C2 | C3 | O | C6 | 172.3° | 180.0° |
| C3 | C2 | C1 | C7 | 179.1° | 179.6° |
| C3 | C2 | C1 | C | 0.0° | 0.6° |
| C1 | C2 | C3 | C4 | 0.1° | 0.4° |
| C1 | C2 | C3 | O | 179.1° | 179.7° |
| C2 | C1 | C | C5 | 0.1° | 0.5° |
| C2 | C1 | C7 | C8 | 179.9° | 179.5° |
| C2 | C1 | C7 | C | 179.2° | 179.1° |
| C2 | C1 | C7 | C17 | 7.2° | 0.7° |
| C2 | C1 | C | N | 180.0° | 179.7° |
| H2 | C2 | C3 | C4 | 179.9° | 180.0° |
| H2 | C2 | C3 | O | 0.9° | 0.0° |
| H2 | C2 | C1 | C7 | 0.9° | 0.7° |
| H2 | C2 | C1 | C | 180.0° | 179.7° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C | 0.1° | 0.0° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C4 | C3 | O | C6 | 6.7° | 0.0° |
| O | C3 | C4 | C5 | 179.0° | 180.0° |
| O | C3 | C4 | H4 | 1.0° | 0.0° |
| C3 | O | C6 | H61 | 33.8° | 180.0° |
| C3 | O | C6 | H62 | 86.2° | 60.0° |
| C3 | O | C6 | H63 | 153.8° | 60.0° |
| C4 | C5 | C | H5 | 180.0° | 180.0° |
| C4 | C5 | C | C1 | 0.2° | 0.2° |
| C4 | C5 | C | N | 179.9° | 180.0° |
| H4 | C4 | C5 | C | 179.9° | 180.0° |
| H4 | C4 | C5 | H5 | 0.1° | 0.0° |
| C5 | C | C1 | C7 | 179.0° | 179.8° |
| C5 | C | N | C8 | 179.3° | 180.0° |
| C5 | C | N | C9 | 1.0° | 0.1° |
| C5 | C | C1 | N | 179.9° | 179.8° |
| H5 | C5 | C | C1 | 179.8° | 179.7° |
| H5 | C5 | C | N | 0.1° | 0.0° |
| O | C6 | H61 | H62 | 120.0° | 120.1° |
| O | C6 | H61 | H63 | 120.0° | 120.0° |
| O | C6 | H62 | H63 | 120.0° | 120.0° |
| H61 | C6 | H62 | H63 | 120.0° | 120.0° |
| C8 | C7 | C1 | C17 | 172.7° | 179.8° |
| C7 | C8 | C16 | N | 177.4° | 180.0° |
| C7 | C8 | N | C9 | 178.5° | 179.9° |
| C8 | C7 | C1 | C | 0.8° | 0.4° |
| C7 | C8 | N | C | 0.2° | 0.0° |
| C7 | C8 | C16 | H161 | 177.2° | 89.9° |
| C7 | C8 | C16 | H162 | 62.7° | 150.0° |
| C7 | C8 | C16 | H163 | 57.3° | 30.0° |
| C8 | C7 | C17 | C18 | 47.2° | 90.0° |
| C8 | C7 | C17 | H171 | 161.3° | 30.0° |
| C8 | C7 | C17 | H172 | 72.8° | 150.0° |
| C1 | C7 | C8 | C16 | 178.0° | 179.7° |
| C1 | C7 | C8 | N | 0.3° | 0.2° |
| C7 | C1 | C | N | 0.9° | 0.4° |
| C1 | C7 | C17 | C18 | 142.3° | 90.3° |
| C1 | C7 | C17 | H171 | 28.2° | 149.7° |
| C1 | C7 | C17 | H172 | 97.7° | 29.7° |
| C17 | C7 | C8 | C16 | 5.6° | 0.0° |
| C17 | C7 | C8 | N | 172.1° | 180.0° |
| C17 | C7 | C1 | C | 171.9° | 179.9° |
| C7 | C17 | C18 | H171 | 114.0° | 120.0° |
| C7 | C17 | C18 | H172 | 120.0° | 120.0° |
| C7 | C17 | H171 | H172 | 116.6° | 120.0° |
| C7 | C17 | C18 | O2 | 69.7° | 0.0° |
| C7 | C17 | C18 | N2 | 114.6° | 180.0° |
| C16 | C8 | N | C9 | 0.8° | 0.0° |
| C16 | C8 | N | C | 177.5° | 180.0° |
| C8 | C16 | H161 | H162 | 120.0° | 120.1° |
| C8 | C16 | H161 | H163 | 120.0° | 120.0° |
| C8 | C16 | H162 | H163 | 120.0° | 120.0° |
| C8 | N | C9 | C10 | 128.6° | 85.5° |
| C8 | N | C9 | C | 178.0° | 179.9° |
| C8 | N | C9 | O1 | 51.5° | 94.5° |
| C8 | N | C | C1 | 0.6° | 0.3° |
| N | C8 | C16 | H161 | 0.1° | 90.0° |
| N | C8 | C16 | H162 | 119.9° | 30.0° |
| N | C8 | C16 | H163 | 120.1° | 150.0° |
| C10 | C9 | N | O1 | 179.9° | 180.0° |
| C10 | C9 | N | C | 53.4° | 94.5° |
| C9 | C10 | C11 | C15 | 179.5° | 179.7° |
| C9 | C10 | C11 | C12 | 179.0° | 179.9° |
| C9 | C10 | C11 | H11 | 1.0° | 0.0° |
| C9 | C10 | C15 | C14 | 179.3° | 179.8° |
| C9 | C10 | C15 | H15 | 0.7° | 0.2° |
| C9 | N | C | C1 | 178.9° | 179.7° |
| N | C9 | C10 | C11 | 16.1° | 174.6° |
| N | C9 | C10 | C15 | 163.4° | 5.1° |
| O1 | C9 | N | C | 126.5° | 85.6° |
| O1 | C9 | C10 | C11 | 163.9° | 5.4° |
| O1 | C9 | C10 | C15 | 16.6° | 174.9° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.4° | 0.1° |
| C10 | C11 | C12 | H12 | 179.6° | 180.0° |
| C11 | C10 | C15 | C14 | 0.2° | 0.5° |
| C11 | C10 | C15 | H15 | 179.8° | 180.0° |
| C15 | C10 | C11 | C12 | 0.5° | 0.2° |
| C15 | C10 | C11 | H11 | 179.5° | 179.7° |
| C10 | C15 | C14 | C13 | 0.2° | 0.4° |
| C10 | C15 | C14 | H15 | 180.0° | 179.6° |
| C10 | C15 | C14 | H14 | 179.8° | 179.7° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.0° | 0.2° |
| C11 | C12 | C13 | CL | 179.8° | 179.9° |
| H11 | C11 | C12 | C13 | 179.6° | 179.9° |
| H11 | C11 | C12 | H12 | 0.4° | 0.1° |
| C12 | C13 | C14 | CL | 179.8° | 179.9° |
| C12 | C13 | C14 | C15 | 0.3° | 0.1° |
| C12 | C13 | C14 | H14 | 179.7° | 180.0° |
| H12 | C12 | C13 | C14 | 180.0° | 180.0° |
| H12 | C12 | C13 | CL | 0.2° | 0.1° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | H15 | 179.8° | 180.0° |
| CL | C13 | C14 | C15 | 179.5° | 179.8° |
| CL | C13 | C14 | H14 | 0.5° | 0.1° |
| H14 | C14 | C15 | H15 | 0.2° | 0.1° |
| H161 | C16 | H162 | H163 | 120.0° | 119.9° |
| C18 | C17 | H171 | H172 | 116.5° | 120.0° |
| C17 | C18 | O2 | N2 | 175.7° | 179.9° |
| C17 | C18 | N2 | C19 | 2.7° | 180.0° |
| C17 | C18 | N2 | HN2 | 177.3° | 0.0° |
| H171 | C17 | C18 | O2 | 176.3° | 120.0° |
| H171 | C17 | C18 | N2 | 0.6° | 60.1° |
| H172 | C17 | C18 | O2 | 50.4° | 120.0° |
| H172 | C17 | C18 | N2 | 125.4° | 60.0° |
| O2 | C18 | N2 | C19 | 172.9° | 0.1° |
| O2 | C18 | N2 | HN2 | 7.0° | 180.0° |
| C18 | N2 | C19 | HN2 | 180.0° | 180.0° |
| C18 | N2 | C19 | C20 | 88.2° | 85.1° |
| C18 | N2 | C19 | C21 | 146.4° | 155.0° |
| C18 | N2 | C19 | H19 | 28.1° | 35.0° |
| O3 | C20 | C19 | N2 | 88.9° | 65.0° |
| O3 | C20 | C19 | H201 | 118.4° | 120.0° |
| O3 | C20 | C19 | H202 | 120.0° | 120.0° |
| O3 | C20 | C19 | C21 | 31.4° | 55.0° |
| O3 | C20 | C19 | H19 | 149.2° | 175.0° |
| O3 | C20 | H201 | H202 | 119.0° | 120.0° |
| HO3 | O3 | C20 | C19 | 59.1° | 180.0° |
| HO3 | O3 | C20 | H201 | 177.5° | 60.0° |
| HO3 | O3 | C20 | H202 | 60.8° | 60.0° |
| N2 | C19 | C20 | C21 | 120.3° | 119.9° |
| N2 | C19 | C20 | H19 | 121.8° | 120.1° |
| N2 | C19 | C21 | H19 | 122.0° | 120.1° |
| N2 | C19 | C20 | H201 | 152.7° | 175.0° |
| N2 | C19 | C20 | H202 | 31.1° | 55.1° |
| N2 | C19 | C21 | C22 | 159.3° | 65.1° |
| N2 | C19 | C21 | H211 | 85.1° | 55.0° |
| N2 | C19 | C21 | H212 | 39.3° | 175.0° |
| HN2 | N2 | C19 | C20 | 91.9° | 95.0° |
| HN2 | N2 | C19 | C21 | 33.5° | 24.9° |
| HN2 | N2 | C19 | H19 | 151.8° | 145.0° |
| C20 | C19 | C21 | H19 | 116.1° | 120.0° |
| C19 | C20 | H201 | H202 | 119.0° | 120.0° |
| C20 | C19 | C21 | C22 | 37.3° | 175.0° |
| C20 | C19 | C21 | H211 | 153.0° | 65.0° |
| C20 | C19 | C21 | H212 | 82.7° | 55.1° |
| C21 | C19 | C20 | H201 | 87.0° | 65.1° |
| C21 | C19 | C20 | H202 | 151.3° | 175.0° |
| C19 | C21 | C22 | H211 | 115.7° | 120.1° |
| C19 | C21 | C22 | H212 | 120.0° | 119.9° |
| C19 | C21 | H211 | H212 | 117.4° | 120.0° |
| C19 | C21 | C22 | H221 | 36.0° | 180.0° |
| C19 | C21 | C22 | H222 | 84.0° | 60.1° |
| C19 | C21 | C22 | H223 | 156.0° | 60.0° |
| H19 | C19 | C20 | H201 | 30.8° | 54.9° |
| H19 | C19 | C20 | H202 | 90.8° | 65.0° |
| H19 | C19 | C21 | C22 | 78.7° | 55.0° |
| H19 | C19 | C21 | H211 | 37.0° | 175.0° |
| H19 | C19 | C21 | H212 | 161.3° | 64.9° |
| C22 | C21 | H211 | H212 | 117.4° | 120.0° |
| C21 | C22 | H221 | H222 | 120.0° | 120.0° |
| C21 | C22 | H221 | H223 | 120.0° | 120.1° |
| C21 | C22 | H222 | H223 | 120.0° | 120.1° |
| H211 | C21 | C22 | H221 | 151.7° | 60.0° |
| H211 | C21 | C22 | H222 | 31.7° | 60.0° |
| H211 | C21 | C22 | H223 | 88.3° | 180.0° |
| H212 | C21 | C22 | H221 | 84.0° | 60.0° |
| H212 | C21 | C22 | H222 | 156.0° | 180.0° |
| H212 | C21 | C22 | H223 | 36.0° | 60.0° |
| H221 | C22 | H222 | H223 | 120.0° | 120.0° |
