I1M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C11 | sing | 1.36Å | 1.37Å | |
| C12 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| CL1 | C13 | sing | 1.74Å | 1.72Å | |
| C11 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C6 | sing | 1.51Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.47Å | 1.47Å | |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.50Å | |
| C7 | N1 | trip | 1.14Å | 1.15Å | |
| C2 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | O1 | sing | 1.36Å | 1.37Å | |
| C1 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| O1 | H6 | sing | 0.97Å | 0.95Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| O2 | H10 | sing | 0.97Å | 0.95Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C11 | C12 | 118.4° | 120.0° |
| O2 | C11 | C10 | 121.5° | 120.1° |
| C11 | O2 | H10 | 109.5° | 113.9° |
| C11 | C12 | C13 | 118.3° | 119.9° |
| C12 | C11 | C10 | 120.1° | 119.9° |
| C11 | C12 | H11 | 120.9° | 120.1° |
| C12 | C13 | CL1 | 116.9° | 120.0° |
| C12 | C13 | C8 | 123.6° | 120.1° |
| C13 | C12 | H11 | 120.9° | 120.0° |
| CL1 | C13 | C8 | 119.5° | 120.0° |
| C11 | C10 | C9 | 120.7° | 120.0° |
| C11 | C10 | H4 | 119.7° | 120.1° |
| C13 | C8 | C9 | 117.1° | 120.1° |
| C13 | C8 | C6 | 119.2° | 120.0° |
| C10 | C9 | C8 | 120.2° | 120.0° |
| C9 | C10 | H4 | 119.6° | 120.0° |
| C10 | C9 | H9 | 119.9° | 120.0° |
| C9 | C8 | C6 | 123.6° | 119.9° |
| C8 | C9 | H9 | 119.9° | 120.0° |
| C8 | C6 | C5 | 110.5° | 109.4° |
| C8 | C6 | C7 | 113.3° | 109.5° |
| C8 | C6 | H3 | 108.0° | 109.4° |
| C5 | C6 | C7 | 108.3° | 109.5° |
| C6 | C5 | C4 | 112.0° | 109.5° |
| C6 | C5 | H1 | 108.8° | 109.5° |
| C6 | C5 | H2 | 108.8° | 109.5° |
| C5 | C6 | H3 | 108.0° | 109.5° |
| C6 | C7 | N1 | 175.7° | 180.0° |
| C7 | C6 | H3 | 108.6° | 109.5° |
| C2 | C3 | C4 | 121.1° | 120.0° |
| C3 | C2 | C1 | 120.3° | 120.0° |
| C3 | C2 | H7 | 119.9° | 120.0° |
| C2 | C3 | H8 | 119.4° | 120.0° |
| C3 | C4 | C5 | 120.1° | 119.9° |
| C3 | C4 | C14 | 117.9° | 120.1° |
| C4 | C3 | H8 | 119.4° | 120.0° |
| C5 | C4 | C14 | 122.0° | 119.9° |
| C4 | C5 | H1 | 108.8° | 109.4° |
| C4 | C5 | H2 | 108.8° | 109.4° |
| C2 | C1 | O1 | 117.9° | 120.1° |
| C2 | C1 | C15 | 119.6° | 119.9° |
| C1 | C2 | H7 | 119.9° | 120.0° |
| C4 | C14 | C15 | 121.5° | 120.0° |
| C4 | C14 | H12 | 119.3° | 120.0° |
| O1 | C1 | C15 | 122.5° | 120.1° |
| C1 | O1 | H6 | 109.5° | 114.0° |
| C1 | C15 | C14 | 119.6° | 120.0° |
| C1 | C15 | H5 | 120.2° | 120.0° |
| C14 | C15 | H5 | 120.2° | 120.0° |
| C15 | C14 | H12 | 119.2° | 120.0° |
| H1 | C5 | H2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C11 | C12 | C10 | 180.0° | 179.5° |
| O2 | C11 | C12 | C13 | 178.8° | 179.8° |
| O2 | C11 | C10 | C9 | 178.2° | 180.0° |
| O2 | C11 | C10 | H4 | 1.8° | 0.5° |
| O2 | C11 | C12 | H11 | 1.2° | 0.5° |
| C11 | C12 | C13 | H11 | 180.0° | 179.8° |
| C11 | C12 | C13 | CL1 | 178.0° | 180.0° |
| C11 | C12 | C13 | C8 | 1.2° | 0.0° |
| C12 | C11 | C10 | C9 | 1.9° | 0.5° |
| C12 | C11 | C10 | H4 | 178.1° | 180.0° |
| C12 | C11 | O2 | H10 | 180.0° | 89.6° |
| C12 | C13 | CL1 | C8 | 176.9° | 180.0° |
| C13 | C12 | C11 | C10 | 1.2° | 0.2° |
| C12 | C13 | C8 | C9 | 1.8° | 0.0° |
| C12 | C13 | C8 | C6 | 179.1° | 179.7° |
| CL1 | C13 | C8 | C9 | 178.5° | 180.0° |
| CL1 | C13 | C8 | C6 | 2.4° | 0.2° |
| CL1 | C13 | C12 | H11 | 2.0° | 0.2° |
| C11 | C10 | C9 | H4 | 180.0° | 179.5° |
| C11 | C10 | C9 | C8 | 2.5° | 0.5° |
| C11 | C10 | C9 | H9 | 177.5° | 179.5° |
| C10 | C11 | O2 | H10 | 0.0° | 90.0° |
| C10 | C11 | C12 | H11 | 178.8° | 180.0° |
| C13 | C8 | C9 | C10 | 2.4° | 0.2° |
| C13 | C8 | C9 | C6 | 179.1° | 179.8° |
| C13 | C8 | C6 | C5 | 84.3° | 120.2° |
| C13 | C8 | C6 | C7 | 153.9° | 119.8° |
| C13 | C8 | C6 | H3 | 33.6° | 0.3° |
| C13 | C8 | C9 | H9 | 177.6° | 179.7° |
| C8 | C13 | C12 | H11 | 178.8° | 179.7° |
| C10 | C9 | C8 | H9 | 180.0° | 179.9° |
| C10 | C9 | C8 | C6 | 178.5° | 180.0° |
| C9 | C8 | C6 | C5 | 94.7° | 60.0° |
| C9 | C8 | C6 | C7 | 27.1° | 60.0° |
| C9 | C8 | C6 | H3 | 147.4° | 179.9° |
| C8 | C9 | C10 | H4 | 177.5° | 179.9° |
| C8 | C6 | C5 | C7 | 124.7° | 120.0° |
| C8 | C6 | C5 | H3 | 117.9° | 119.9° |
| C8 | C6 | C7 | H3 | 120.0° | 120.0° |
| C8 | C6 | C5 | C4 | 169.9° | 175.0° |
| C8 | C6 | C7 | N1 | 95.7° | 15.1° |
| C8 | C6 | C5 | H1 | 49.5° | 65.0° |
| C8 | C6 | C5 | H2 | 69.7° | 55.1° |
| C6 | C8 | C9 | H9 | 1.5° | 0.0° |
| C5 | C6 | C7 | H3 | 117.1° | 120.0° |
| C6 | C5 | C4 | C3 | 82.5° | 89.7° |
| C6 | C5 | C4 | H1 | 120.4° | 120.0° |
| C6 | C5 | C4 | H2 | 120.4° | 120.0° |
| C5 | C6 | C7 | N1 | 27.3° | 104.9° |
| C6 | C5 | C4 | C14 | 95.7° | 90.0° |
| C6 | C5 | H1 | H2 | 118.8° | 120.1° |
| C7 | C6 | C5 | C4 | 65.4° | 65.0° |
| C7 | C6 | C5 | H1 | 174.2° | 55.0° |
| C7 | C6 | C5 | H2 | 55.0° | 175.0° |
| C2 | C3 | C4 | H8 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 179.9° | 179.7° |
| C3 | C2 | C1 | H7 | 180.0° | 179.7° |
| C2 | C3 | C4 | C14 | 1.5° | 0.1° |
| C3 | C2 | C1 | O1 | 179.7° | 179.7° |
| C3 | C2 | C1 | C15 | 0.4° | 0.8° |
| C3 | C4 | C5 | C14 | 178.3° | 179.8° |
| C4 | C3 | C2 | C1 | 0.6° | 0.6° |
| C3 | C4 | C14 | C15 | 1.6° | 0.2° |
| C3 | C4 | C5 | H1 | 37.8° | 30.3° |
| C3 | C4 | C5 | H2 | 157.1° | 150.3° |
| C4 | C3 | C2 | H7 | 179.4° | 179.7° |
| C3 | C4 | C14 | H12 | 178.4° | 179.7° |
| C5 | C4 | C14 | C15 | 180.0° | 179.9° |
| C4 | C5 | H1 | H2 | 118.9° | 119.9° |
| C4 | C5 | C6 | H3 | 52.0° | 55.0° |
| C5 | C4 | C3 | H8 | 0.1° | 0.2° |
| C5 | C4 | C14 | H12 | 0.1° | 0.1° |
| N1 | C7 | C6 | H3 | 144.3° | 135.1° |
| C2 | C1 | O1 | C15 | 179.9° | 179.5° |
| C2 | C1 | C15 | C14 | 0.3° | 0.6° |
| C2 | C1 | C15 | H5 | 179.8° | 179.5° |
| C2 | C1 | O1 | H6 | 180.0° | 90.5° |
| C1 | C2 | C3 | H8 | 179.4° | 179.5° |
| C4 | C14 | C15 | C1 | 0.8° | 0.1° |
| C4 | C14 | C15 | H12 | 180.0° | 179.9° |
| C14 | C4 | C5 | H1 | 143.9° | 149.9° |
| C14 | C4 | C5 | H2 | 24.6° | 30.0° |
| C4 | C14 | C15 | H5 | 179.2° | 180.0° |
| C14 | C4 | C3 | H8 | 178.5° | 180.0° |
| O1 | C1 | C15 | C14 | 179.8° | 179.9° |
| O1 | C1 | C15 | H5 | 0.2° | 0.0° |
| O1 | C1 | C2 | H7 | 0.3° | 0.0° |
| C1 | C15 | C14 | H5 | 180.0° | 179.9° |
| C15 | C1 | O1 | H6 | 0.1° | 90.0° |
| C15 | C1 | C2 | H7 | 179.6° | 179.5° |
| C1 | C15 | C14 | H12 | 179.3° | 179.9° |
| H1 | C5 | C6 | H3 | 68.4° | 175.0° |
| H2 | C5 | C6 | H3 | 172.4° | 64.9° |
| H4 | C10 | C9 | H9 | 2.5° | 0.0° |
| H5 | C15 | C14 | H12 | 0.8° | 0.1° |
| H7 | C2 | C3 | H8 | 0.6° | 0.2° |
