7HL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C15 | C10 | sing | 1.48Å | 1.49Å | |
| CL1 | C27 | sing | 1.74Å | 1.75Å | |
| C24 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | N5 | sing | 1.35Å | 1.35Å | |
| C10 | O16 | doub | 1.22Å | 1.22Å | |
| N5 | C2 | sing | 1.39Å | 1.42Å | |
| O13 | C9 | sing | 1.35Å | 1.30Å | |
| C20 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | O14 | doub | 1.22Å | 1.23Å | |
| C9 | C4 | sing | 1.47Å | 1.49Å | |
| C25 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C11 | sing | 1.51Å | 1.50Å | |
| C4 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| O6 | C3 | sing | 1.36Å | 1.37Å | |
| O6 | C11 | sing | 1.43Å | 1.44Å | |
| C3 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | H35 | sing | 1.08Å | 1.08Å | |
| C19 | H36 | sing | 1.08Å | 1.08Å | |
| C20 | H37 | sing | 1.08Å | 1.08Å | |
| C21 | H38 | sing | 1.08Å | 1.08Å | |
| C22 | H39 | sing | 1.08Å | 1.08Å | |
| C23 | H40 | sing | 1.08Å | 1.08Å | |
| C24 | H41 | sing | 1.08Å | 1.08Å | |
| C11 | H32 | sing | 1.09Å | 1.10Å | |
| C11 | H31 | sing | 1.09Å | 1.10Å | |
| C12 | H33 | sing | 1.08Å | 1.08Å | |
| N5 | H28 | sing | 0.97Å | 1.00Å | |
| C7 | H29 | sing | 1.08Å | 1.08Å | |
| C8 | H30 | sing | 1.08Å | 1.08Å | |
| O13 | H34 | sing | 0.97Å | 0.95Å | |
| C25 | H42 | sing | 1.08Å | 1.08Å | |
| C26 | H43 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C26 | C22 | 119.8° | 120.3° |
| C26 | C23 | C19 | 120.2° | 120.2° |
| C26 | C23 | H40 | 119.9° | 119.9° |
| C23 | C26 | H43 | 120.1° | 119.9° |
| C26 | C22 | C18 | 120.3° | 120.2° |
| C26 | C22 | H39 | 119.8° | 119.9° |
| C22 | C26 | H43 | 120.1° | 119.8° |
| C23 | C19 | C15 | 120.5° | 119.8° |
| C23 | C19 | H36 | 119.8° | 120.1° |
| C19 | C23 | H40 | 119.9° | 119.9° |
| C22 | C18 | C15 | 120.2° | 119.8° |
| C22 | C18 | H35 | 119.9° | 120.1° |
| C18 | C22 | H39 | 119.8° | 119.9° |
| C19 | C15 | C18 | 118.9° | 119.7° |
| C19 | C15 | C10 | 119.7° | 120.2° |
| C15 | C19 | H36 | 119.8° | 120.1° |
| C18 | C15 | C10 | 121.4° | 120.1° |
| C15 | C18 | H35 | 119.9° | 120.1° |
| C15 | C10 | N5 | 115.7° | 120.0° |
| C15 | C10 | O16 | 120.8° | 120.0° |
| CL1 | C27 | C24 | 119.4° | 120.0° |
| CL1 | C27 | C25 | 119.5° | 120.0° |
| C27 | C24 | C20 | 119.2° | 120.0° |
| C24 | C27 | C25 | 121.0° | 119.9° |
| C27 | C24 | H41 | 120.4° | 120.0° |
| C24 | C20 | C17 | 121.2° | 120.0° |
| C24 | C20 | H37 | 119.4° | 120.0° |
| C20 | C24 | H41 | 120.4° | 120.0° |
| C27 | C25 | C21 | 119.1° | 120.0° |
| C27 | C25 | H42 | 120.5° | 120.0° |
| N5 | C10 | O16 | 123.5° | 120.0° |
| C10 | N5 | C2 | 122.5° | 120.0° |
| C10 | N5 | H28 | 118.8° | 120.0° |
| N5 | C2 | C4 | 120.1° | 120.2° |
| N5 | C2 | C3 | 120.1° | 120.2° |
| C2 | N5 | H28 | 118.8° | 120.0° |
| O13 | C9 | O14 | 123.5° | 120.0° |
| O13 | C9 | C4 | 113.5° | 120.0° |
| C9 | O13 | H34 | 109.5° | 117.0° |
| C20 | C17 | C21 | 118.3° | 120.0° |
| C20 | C17 | C11 | 119.9° | 120.0° |
| C17 | C20 | H37 | 119.4° | 120.0° |
| O14 | C9 | C4 | 123.0° | 120.0° |
| C9 | C4 | C2 | 120.9° | 120.2° |
| C9 | C4 | C8 | 120.1° | 120.2° |
| C25 | C21 | C17 | 121.1° | 120.0° |
| C25 | C21 | H38 | 119.4° | 120.1° |
| C21 | C25 | H42 | 120.4° | 120.0° |
| C4 | C2 | C3 | 119.8° | 119.6° |
| C2 | C4 | C8 | 119.1° | 119.6° |
| C2 | C3 | O6 | 114.4° | 120.1° |
| C2 | C3 | C7 | 120.2° | 120.0° |
| C21 | C17 | C11 | 121.4° | 120.0° |
| C17 | C21 | H38 | 119.4° | 120.0° |
| C17 | C11 | O6 | 106.6° | 109.5° |
| C17 | C11 | H32 | 110.2° | 109.5° |
| C17 | C11 | H31 | 110.2° | 109.4° |
| C4 | C8 | C12 | 120.5° | 120.0° |
| C4 | C8 | H30 | 119.8° | 120.0° |
| C3 | O6 | C11 | 120.7° | 117.0° |
| O6 | C3 | C7 | 124.6° | 120.0° |
| O6 | C11 | H32 | 110.2° | 109.5° |
| O6 | C11 | H31 | 110.2° | 109.4° |
| C3 | C7 | C12 | 119.6° | 120.3° |
| C3 | C7 | H29 | 120.2° | 119.8° |
| C8 | C12 | C7 | 120.8° | 120.4° |
| C8 | C12 | H33 | 119.6° | 119.8° |
| C12 | C8 | H30 | 119.8° | 120.0° |
| C7 | C12 | H33 | 119.6° | 119.8° |
| C12 | C7 | H29 | 120.2° | 119.8° |
| H32 | C11 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C26 | C22 | H43 | 180.0° | 179.2° |
| C26 | C23 | C19 | H40 | 180.0° | 179.4° |
| C23 | C26 | C22 | C18 | 0.3° | 0.6° |
| C26 | C23 | C19 | C15 | 1.7° | 0.6° |
| C26 | C23 | C19 | H36 | 178.3° | 179.5° |
| C23 | C26 | C22 | H39 | 179.7° | 179.5° |
| C22 | C26 | C23 | C19 | 0.9° | 0.8° |
| C26 | C22 | C18 | H39 | 180.0° | 180.0° |
| C26 | C22 | C18 | C15 | 0.4° | 0.0° |
| C26 | C22 | C18 | H35 | 179.6° | 179.7° |
| C22 | C26 | C23 | H40 | 179.1° | 179.8° |
| C23 | C19 | C15 | H36 | 180.0° | 179.9° |
| C23 | C19 | C15 | C18 | 1.8° | 0.0° |
| C23 | C19 | C15 | C10 | 176.6° | 179.9° |
| C19 | C23 | C26 | H43 | 179.1° | 179.9° |
| C22 | C18 | C15 | C19 | 1.2° | 0.3° |
| C22 | C18 | C15 | H35 | 180.0° | 179.7° |
| C22 | C18 | C15 | C10 | 177.2° | 179.8° |
| C18 | C22 | C26 | H43 | 179.7° | 179.8° |
| C19 | C15 | C18 | C10 | 178.4° | 180.0° |
| C19 | C15 | C10 | N5 | 131.4° | 0.1° |
| C19 | C15 | C10 | O16 | 49.3° | 180.0° |
| C19 | C15 | C18 | H35 | 178.8° | 180.0° |
| C15 | C19 | C23 | H40 | 178.4° | 180.0° |
| C18 | C15 | C10 | N5 | 47.0° | 180.0° |
| C18 | C15 | C10 | O16 | 132.4° | 0.0° |
| C18 | C15 | C19 | H36 | 178.2° | 179.9° |
| C15 | C18 | C22 | H39 | 179.5° | 180.0° |
| C15 | C10 | N5 | O16 | 179.3° | 180.0° |
| C15 | C10 | N5 | C2 | 171.8° | 175.5° |
| C10 | C15 | C18 | H35 | 2.8° | 0.1° |
| C10 | C15 | C19 | H36 | 3.4° | 0.0° |
| C15 | C10 | N5 | H28 | 8.3° | 4.6° |
| CL1 | C27 | C24 | C25 | 177.5° | 179.8° |
| CL1 | C27 | C24 | C20 | 175.6° | 180.0° |
| CL1 | C27 | C25 | C21 | 176.1° | 179.8° |
| CL1 | C27 | C24 | H41 | 4.4° | 0.2° |
| CL1 | C27 | C25 | H42 | 4.0° | 0.3° |
| C27 | C24 | C20 | H41 | 180.0° | 179.8° |
| C27 | C24 | C20 | C17 | 0.1° | 0.0° |
| C24 | C27 | C25 | C21 | 1.4° | 0.5° |
| C27 | C24 | C20 | H37 | 179.9° | 180.0° |
| C24 | C27 | C25 | H42 | 178.6° | 180.0° |
| C20 | C24 | C27 | C25 | 1.9° | 0.2° |
| C24 | C20 | C17 | H37 | 180.0° | 180.0° |
| C24 | C20 | C17 | C21 | 2.6° | NaN° |
| C24 | C20 | C17 | C11 | 170.4° | 179.7° |
| C27 | C25 | C21 | H42 | 180.0° | 179.5° |
| C27 | C25 | C21 | C17 | 1.1° | 0.5° |
| C27 | C25 | C21 | H38 | 178.9° | 179.5° |
| C25 | C27 | C24 | H41 | 178.1° | 180.0° |
| C10 | N5 | C2 | H28 | 180.0° | 179.9° |
| C10 | N5 | C2 | C4 | 94.3° | 107.6° |
| C10 | N5 | C2 | C3 | 85.9° | 72.6° |
| O16 | C10 | N5 | C2 | 7.6° | 4.5° |
| O16 | C10 | N5 | H28 | 172.4° | 175.4° |
| N5 | C2 | C4 | C9 | 4.3° | 0.2° |
| N5 | C2 | C4 | C3 | 179.8° | 179.8° |
| N5 | C2 | C4 | C8 | 177.1° | 180.0° |
| N5 | C2 | C3 | O6 | 15.3° | 0.2° |
| N5 | C2 | C3 | C7 | 174.7° | 180.0° |
| O13 | C9 | O14 | C4 | 177.1° | 180.0° |
| O13 | C9 | C4 | C2 | 86.5° | 178.0° |
| O13 | C9 | C4 | C8 | 94.9° | 2.2° |
| C20 | C17 | C21 | C25 | 3.0° | 0.3° |
| C20 | C17 | C21 | C11 | 172.8° | 179.7° |
| C20 | C17 | C11 | O6 | 68.5° | 89.8° |
| C20 | C17 | C21 | H38 | 177.0° | 179.8° |
| C17 | C20 | C24 | H41 | 179.9° | 179.8° |
| C20 | C17 | C11 | H32 | 51.0° | 30.3° |
| C20 | C17 | C11 | H31 | 171.9° | 150.3° |
| O14 | C9 | C4 | C2 | 90.9° | 2.0° |
| O14 | C9 | C4 | C8 | 87.8° | 177.8° |
| O14 | C9 | O13 | H34 | 0.0° | 0.0° |
| C9 | C4 | C2 | C8 | 178.6° | 179.8° |
| C9 | C4 | C2 | C3 | 175.9° | 180.0° |
| C9 | C4 | C8 | C12 | 179.3° | 179.7° |
| C9 | C4 | C8 | H30 | 0.7° | 0.3° |
| C4 | C9 | O13 | H34 | 177.3° | 180.0° |
| C25 | C21 | C17 | H38 | 180.0° | 180.0° |
| C25 | C21 | C17 | C11 | 169.8° | 180.0° |
| C4 | C2 | C3 | O6 | 164.9° | 180.0° |
| C4 | C2 | C3 | C7 | 5.2° | 0.2° |
| C2 | C4 | C8 | C12 | 0.7° | 0.1° |
| C4 | C2 | N5 | H28 | 85.7° | 72.5° |
| C2 | C4 | C8 | H30 | 179.3° | 180.0° |
| C3 | C2 | C4 | C8 | 2.7° | 0.2° |
| C2 | C3 | O6 | C7 | 169.5° | 179.8° |
| C2 | C3 | O6 | C11 | 159.8° | 179.9° |
| C2 | C3 | C7 | C12 | 4.1° | 0.1° |
| C3 | C2 | N5 | H28 | 94.1° | 107.3° |
| C2 | C3 | C7 | H29 | 176.0° | 180.0° |
| C21 | C17 | C11 | O6 | 104.2° | 89.9° |
| C21 | C17 | C20 | H37 | 177.5° | 180.0° |
| C21 | C17 | C11 | H32 | 136.3° | 150.0° |
| C21 | C17 | C11 | H31 | 15.4° | 30.0° |
| C17 | C21 | C25 | H42 | 178.9° | 180.0° |
| C17 | C11 | O6 | C3 | 167.6° | 180.0° |
| C17 | C11 | O6 | H32 | 119.5° | 120.1° |
| C17 | C11 | O6 | H31 | 119.6° | 119.9° |
| C11 | C17 | C20 | H37 | 9.6° | 0.3° |
| C11 | C17 | C21 | H38 | 10.2° | 0.1° |
| C17 | C11 | H32 | H31 | 121.3° | 120.0° |
| C4 | C8 | C12 | H30 | 180.0° | 179.9° |
| C4 | C8 | C12 | C7 | 1.8° | 0.4° |
| C4 | C8 | C12 | H33 | 178.2° | 180.0° |
| O6 | C3 | C7 | C12 | 164.9° | 179.7° |
| C3 | O6 | C11 | H32 | 48.1° | 59.9° |
| C3 | O6 | C11 | H31 | 72.8° | 60.0° |
| O6 | C3 | C7 | H29 | 15.1° | 0.2° |
| C11 | O6 | C3 | C7 | 30.7° | 0.3° |
| O6 | C11 | H32 | H31 | 121.3° | 119.9° |
| C3 | C7 | C12 | C8 | 0.6° | 0.4° |
| C3 | C7 | C12 | H29 | 180.0° | 179.9° |
| C3 | C7 | C12 | H33 | 179.4° | 180.0° |
| C8 | C12 | C7 | H33 | 180.0° | 179.6° |
| C8 | C12 | C7 | H29 | 179.4° | 179.7° |
| C7 | C12 | C8 | H30 | 178.2° | 179.7° |
| H35 | C18 | C22 | H39 | 0.5° | 0.3° |
| H36 | C19 | C23 | H40 | 1.7° | 0.1° |
| H37 | C20 | C24 | H41 | 0.1° | 0.2° |
| H38 | C21 | C25 | H42 | 1.1° | 0.0° |
| H39 | C22 | C26 | H43 | 0.3° | 0.3° |
| H40 | C23 | C26 | H43 | 0.9° | 0.5° |
| H33 | C12 | C7 | H29 | 0.6° | 0.1° |
| H33 | C12 | C8 | H30 | 1.8° | 0.1° |
