LM9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.40Å | 1.38Å | Aromatic |
| C1 | C3 | sing | 1.48Å | 1.47Å | |
| C1 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | O5 | sing | 1.36Å | 1.36Å | |
| C2 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | N7 | sing | 1.34Å | 1.37Å | Aromatic |
| C3 | N8 | doub | 1.32Å | 1.35Å | Aromatic |
| C4 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| O5 | C10 | sing | 1.36Å | 1.37Å | |
| C6 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| N7 | N12 | doub | 1.29Å | 1.39Å | Aromatic |
| N8 | N13 | sing | 1.29Å | 1.35Å | Aromatic |
| N12 | N13 | sing | 1.29Å | 1.31Å | Aromatic |
| C10 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | C16 | sing | 1.38Å | 1.36Å | Aromatic |
| C15 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | H24 | sing | 1.08Å | 1.08Å | |
| C15 | H26 | sing | 1.08Å | 1.08Å | |
| C16 | H27 | sing | 1.08Å | 1.08Å | |
| C18 | H28 | sing | 1.08Å | 1.08Å | |
| C4 | H21 | sing | 1.08Å | 1.08Å | |
| C6 | H22 | sing | 1.08Å | 1.08Å | |
| C9 | H23 | sing | 1.08Å | 1.08Å | |
| N13 | H25 | sing | 0.97Å | 1.00Å | |
| CL17 | C14 | sing | 1.74Å | 1.74Å | |
| CL20 | C19 | sing | 1.74Å | 1.68Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 120.4° | 120.2° |
| C2 | C1 | C4 | 121.2° | 119.7° |
| C1 | C2 | O5 | 121.0° | 120.1° |
| C1 | C2 | C6 | 119.8° | 119.7° |
| C3 | C1 | C4 | 118.2° | 120.1° |
| C1 | C3 | N7 | 121.8° | 126.7° |
| C1 | C3 | N8 | 129.3° | 126.7° |
| C1 | C4 | C9 | 118.9° | 119.9° |
| C1 | C4 | H21 | 120.6° | 120.1° |
| O5 | C2 | C6 | 119.2° | 120.1° |
| C2 | O5 | C10 | 117.0° | 118.0° |
| C2 | C6 | C11 | 119.0° | 120.1° |
| C2 | C6 | H22 | 120.5° | 120.0° |
| N7 | C3 | N8 | 108.8° | 106.6° |
| C3 | N7 | N12 | 104.7° | 107.3° |
| C3 | N8 | N13 | 108.4° | 107.8° |
| C4 | C9 | C11 | 120.2° | 120.2° |
| C9 | C4 | H21 | 120.6° | 120.0° |
| C4 | C9 | H23 | 119.9° | 119.9° |
| O5 | C10 | C14 | 119.2° | 120.1° |
| O5 | C10 | C15 | 122.7° | 120.1° |
| C6 | C11 | C9 | 120.9° | 120.3° |
| C6 | C11 | H24 | 119.5° | 119.9° |
| C11 | C6 | H22 | 120.5° | 120.0° |
| C9 | C11 | H24 | 119.5° | 119.8° |
| C11 | C9 | H23 | 119.9° | 119.9° |
| N7 | N12 | N13 | 109.7° | 108.9° |
| N8 | N13 | N12 | 108.1° | 109.3° |
| N8 | N13 | H25 | 126.0° | 125.4° |
| N12 | N13 | H25 | 125.9° | 125.3° |
| C14 | C10 | C15 | 118.0° | 119.9° |
| C10 | C14 | C16 | 120.7° | 120.0° |
| C10 | C14 | CL17 | 118.6° | 120.0° |
| C10 | C15 | C18 | 121.2° | 120.0° |
| C10 | C15 | H26 | 119.4° | 120.0° |
| C14 | C16 | C19 | 120.9° | 120.0° |
| C14 | C16 | H27 | 119.5° | 120.0° |
| C16 | C14 | CL17 | 120.5° | 120.0° |
| C15 | C18 | C19 | 119.7° | 120.1° |
| C18 | C15 | H26 | 119.4° | 120.0° |
| C15 | C18 | H28 | 120.2° | 119.9° |
| C16 | C19 | C18 | 119.4° | 120.1° |
| C19 | C16 | H27 | 119.5° | 120.0° |
| C16 | C19 | CL20 | 119.2° | 119.9° |
| C19 | C18 | H28 | 120.2° | 120.0° |
| C18 | C19 | CL20 | 121.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | C4 | 174.6° | 180.0° |
| C1 | C2 | O5 | C6 | 178.0° | 179.7° |
| C2 | C1 | C3 | N7 | 138.0° | 0.0° |
| C2 | C1 | C3 | N8 | 37.9° | 179.7° |
| C2 | C1 | C4 | C9 | 0.2° | 0.4° |
| C1 | C2 | O5 | C10 | 110.2° | 174.6° |
| C1 | C2 | C6 | C11 | 0.4° | 0.1° |
| C2 | C1 | C4 | H21 | 179.7° | 180.0° |
| C1 | C2 | C6 | H22 | 179.5° | 180.0° |
| C3 | C1 | C2 | O5 | 7.9° | 0.0° |
| C3 | C1 | C2 | C6 | 174.1° | 179.8° |
| C1 | C3 | N7 | N8 | 176.7° | 179.7° |
| C3 | C1 | C4 | C9 | 174.8° | 179.7° |
| C1 | C3 | N7 | N12 | 174.8° | 180.0° |
| C1 | C3 | N8 | N13 | 177.5° | 180.0° |
| C3 | C1 | C4 | H21 | 5.2° | 0.0° |
| C4 | C1 | C2 | O5 | 177.7° | 180.0° |
| C4 | C1 | C2 | C6 | 0.3° | 0.3° |
| C4 | C1 | C3 | N7 | 36.6° | 179.9° |
| C4 | C1 | C3 | N8 | 147.5° | 0.3° |
| C1 | C4 | C9 | H21 | 180.0° | 179.6° |
| C1 | C4 | C9 | C11 | 0.6° | 0.1° |
| C1 | C4 | C9 | H23 | 179.4° | 180.0° |
| O5 | C2 | C6 | C11 | 177.6° | 179.7° |
| C2 | O5 | C10 | C14 | 134.2° | 81.6° |
| C2 | O5 | C10 | C15 | 50.6° | 98.7° |
| O5 | C2 | C6 | H22 | 2.5° | 0.2° |
| C6 | C2 | O5 | C10 | 71.8° | 5.7° |
| C2 | C6 | C11 | H22 | 180.0° | 179.9° |
| C2 | C6 | C11 | C9 | 0.1° | 0.3° |
| C2 | C6 | C11 | H24 | 180.0° | 180.0° |
| N7 | C3 | N8 | N13 | 1.1° | 0.3° |
| C3 | N7 | N12 | N13 | 4.3° | 0.2° |
| N8 | C3 | N7 | N12 | 1.9° | 0.3° |
| C3 | N8 | N13 | N12 | 3.9° | 0.1° |
| C3 | N8 | N13 | H25 | 176.1° | 180.0° |
| C4 | C9 | C11 | C6 | 0.5° | 0.3° |
| C4 | C9 | C11 | H23 | 180.0° | 179.9° |
| C4 | C9 | C11 | H24 | 179.5° | 180.0° |
| O5 | C10 | C14 | C15 | 175.4° | 179.7° |
| O5 | C10 | C14 | C16 | 177.2° | 179.7° |
| O5 | C10 | C15 | C18 | 175.0° | 179.7° |
| O5 | C10 | C15 | H26 | 5.0° | 0.2° |
| O5 | C10 | C14 | CL17 | 7.9° | 0.3° |
| C6 | C11 | C9 | H24 | 180.0° | 179.7° |
| C6 | C11 | C9 | H23 | 179.5° | 179.6° |
| C11 | C9 | C4 | H21 | 179.4° | 179.7° |
| C9 | C11 | C6 | H22 | 179.9° | 179.8° |
| N7 | N12 | N13 | N8 | 5.1° | 0.0° |
| N7 | N12 | N13 | H25 | 174.9° | 179.9° |
| N8 | N13 | N12 | H25 | 180.0° | 179.9° |
| C10 | C14 | C16 | CL17 | 174.8° | 179.9° |
| C14 | C10 | C15 | C18 | 0.3° | 0.0° |
| C10 | C14 | C16 | C19 | 3.9° | 0.1° |
| C14 | C10 | C15 | H26 | 179.7° | 179.9° |
| C10 | C14 | C16 | H27 | 176.1° | 179.9° |
| C15 | C10 | C14 | C16 | 1.8° | 0.0° |
| C10 | C15 | C18 | H26 | 180.0° | 179.9° |
| C10 | C15 | C18 | C19 | 0.2° | 0.1° |
| C10 | C15 | C18 | H28 | 179.8° | 180.0° |
| C15 | C10 | C14 | CL17 | 176.6° | 179.9° |
| C14 | C16 | C19 | H27 | 180.0° | 179.9° |
| C14 | C16 | C19 | C18 | 3.9° | 0.1° |
| C14 | C16 | C19 | CL20 | 179.4° | 180.0° |
| C15 | C18 | C19 | C16 | 1.9° | 0.0° |
| C15 | C18 | C19 | H28 | 180.0° | 179.9° |
| C15 | C18 | C19 | CL20 | 178.4° | 180.0° |
| C16 | C19 | C18 | CL20 | 176.5° | 180.0° |
| C16 | C19 | C18 | H28 | 178.2° | 179.9° |
| C19 | C16 | C14 | CL17 | 178.6° | 180.0° |
| C19 | C18 | C15 | H26 | 179.8° | 180.0° |
| C18 | C19 | C16 | H27 | 176.1° | 179.9° |
| H24 | C11 | C6 | H22 | 0.1° | 0.1° |
| H24 | C11 | C9 | H23 | 0.5° | 0.1° |
| H26 | C15 | C18 | H28 | 0.2° | 0.1° |
| H27 | C16 | C14 | CL17 | 1.4° | 0.1° |
| H27 | C16 | C19 | CL20 | 0.5° | 0.1° |
| H28 | C18 | C19 | CL20 | 1.6° | 0.0° |
| H21 | C4 | C9 | H23 | 0.7° | 0.4° |
