24D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C2 | sing | 1.74Å | 1.75Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C5 | C23 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | N7 | sing | 1.46Å | 1.46Å | |
| N7 | C8 | sing | 1.35Å | 1.34Å | |
| C8 | O9 | doub | 1.22Å | 1.20Å | |
| C8 | N10 | sing | 1.35Å | 1.33Å | |
| N10 | C11 | sing | 1.47Å | 1.47Å | |
| N10 | C15 | sing | 1.47Å | 1.46Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | O16 | sing | 1.43Å | 1.43Å | |
| C14 | C15 | sing | 1.54Å | 1.53Å | |
| O16 | C17 | sing | 1.35Å | 1.36Å | |
| C17 | N18 | doub | 1.32Å | 1.32Å | Aromatic |
| C17 | N22 | sing | 1.32Å | 1.32Å | Aromatic |
| N18 | C19 | sing | 1.32Å | 1.32Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | N22 | doub | 1.32Å | 1.32Å | Aromatic |
| C23 | CL24 | sing | 1.74Å | 1.74Å | |
| C23 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C2 | C3 | 119.8° | 120.0° |
| CL1 | C2 | C25 | 121.6° | 120.0° |
| C3 | C2 | C25 | 118.6° | 120.0° |
| C2 | C3 | C4 | 120.5° | 120.0° |
| C2 | C3 | H3 | 119.8° | 120.0° |
| C2 | C25 | C23 | 120.2° | 120.0° |
| C2 | C25 | H25 | 119.9° | 120.0° |
| C3 | C4 | C5 | 120.7° | 120.0° |
| C4 | C3 | H3 | 119.8° | 120.0° |
| C3 | C4 | H4 | 119.6° | 120.0° |
| C4 | C5 | C6 | 123.0° | 120.0° |
| C4 | C5 | C23 | 119.0° | 120.0° |
| C5 | C4 | H4 | 119.6° | 120.0° |
| C6 | C5 | C23 | 118.0° | 120.0° |
| C5 | C6 | N7 | 111.2° | 109.5° |
| C5 | C6 | H6 | 108.9° | 109.5° |
| C5 | C6 | H6A | 108.9° | 109.5° |
| C5 | C23 | CL24 | 115.8° | 120.0° |
| C5 | C23 | C25 | 121.0° | 120.0° |
| C6 | N7 | C8 | 118.4° | 120.0° |
| N7 | C6 | H6 | 108.9° | 109.5° |
| N7 | C6 | H6A | 108.9° | 109.4° |
| C6 | N7 | HN7 | 120.8° | 120.0° |
| N7 | C8 | O9 | 119.5° | 120.0° |
| N7 | C8 | N10 | 121.7° | 120.0° |
| C8 | N7 | HN7 | 120.8° | 120.0° |
| O9 | C8 | N10 | 118.8° | 120.0° |
| C8 | N10 | C11 | 119.9° | 120.6° |
| C8 | N10 | C15 | 120.2° | 120.6° |
| C11 | N10 | C15 | 119.9° | 118.8° |
| N10 | C11 | C12 | 109.0° | 108.8° |
| N10 | C11 | H11 | 109.6° | 109.6° |
| N10 | C11 | H11A | 109.6° | 109.6° |
| N10 | C15 | C14 | 107.3° | 108.5° |
| N10 | C15 | H15 | 110.2° | 109.6° |
| N10 | C15 | H15A | 110.2° | 109.6° |
| C11 | C12 | C13 | 110.7° | 109.3° |
| C12 | C11 | H11 | 109.7° | 109.6° |
| C12 | C11 | H11A | 109.6° | 109.5° |
| C11 | C12 | H12 | 109.1° | 109.5° |
| C11 | C12 | H12A | 109.1° | 109.5° |
| C12 | C13 | C14 | 113.0° | 109.5° |
| C12 | C13 | O16 | 110.2° | 109.5° |
| C13 | C12 | H12 | 109.1° | 109.5° |
| C13 | C12 | H12A | 109.0° | 109.5° |
| C12 | C13 | H13 | 106.7° | 109.5° |
| C14 | C13 | O16 | 110.0° | 109.5° |
| C13 | C14 | C15 | 106.2° | 109.3° |
| C14 | C13 | H13 | 106.9° | 109.4° |
| C13 | C14 | H14 | 110.6° | 109.4° |
| C13 | C14 | H14A | 110.6° | 109.5° |
| C13 | O16 | C17 | 122.5° | 117.0° |
| O16 | C13 | H13 | 109.9° | 109.4° |
| C15 | C14 | H14 | 110.6° | 109.6° |
| C15 | C14 | H14A | 110.5° | 109.5° |
| C14 | C15 | H15 | 110.2° | 109.7° |
| C14 | C15 | H15A | 110.2° | 109.6° |
| O16 | C17 | N18 | 120.7° | 119.2° |
| O16 | C17 | N22 | 116.8° | 119.2° |
| N18 | C17 | N22 | 122.5° | 121.6° |
| C17 | N18 | C19 | 120.6° | 120.7° |
| C17 | N22 | C21 | 120.5° | 120.7° |
| N18 | C19 | C20 | 118.2° | 119.2° |
| N18 | C19 | H19 | 120.9° | 120.4° |
| C19 | C20 | C21 | 120.0° | 118.5° |
| C20 | C19 | H19 | 120.9° | 120.4° |
| C19 | C20 | H20 | 120.0° | 120.8° |
| C20 | C21 | N22 | 118.3° | 119.2° |
| C21 | C20 | H20 | 120.0° | 120.7° |
| C20 | C21 | H21 | 120.9° | 120.4° |
| N22 | C21 | H21 | 120.8° | 120.4° |
| CL24 | C23 | C25 | 123.2° | 120.0° |
| C23 | C25 | H25 | 119.9° | 120.1° |
| H6 | C6 | H6A | 110.0° | 109.5° |
| H11 | C11 | H11A | 109.3° | 109.7° |
| H12 | C12 | H12A | 109.9° | 109.6° |
| H14 | C14 | H14A | 108.4° | 109.5° |
| H15 | C15 | H15A | 108.7° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C2 | C3 | C25 | 179.9° | 179.8° |
| CL1 | C2 | C3 | C4 | 179.9° | 180.0° |
| CL1 | C2 | C25 | C23 | 179.7° | 179.7° |
| CL1 | C2 | C3 | H3 | 0.1° | 0.0° |
| CL1 | C2 | C25 | H25 | 0.3° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C3 | C2 | C25 | C23 | 0.2° | 0.5° |
| C2 | C3 | C4 | H4 | 179.8° | 180.0° |
| C3 | C2 | C25 | H25 | 179.8° | 179.7° |
| C25 | C2 | C3 | C4 | 0.0° | 0.2° |
| C2 | C25 | C23 | C5 | 0.1° | 0.4° |
| C2 | C25 | C23 | CL24 | 179.9° | 179.8° |
| C2 | C25 | C23 | H25 | 180.0° | 179.8° |
| C25 | C2 | C3 | H3 | 180.0° | 179.8° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 179.6° | 180.0° |
| C3 | C4 | C5 | C23 | 0.3° | 0.1° |
| C4 | C5 | C6 | C23 | 179.3° | 179.9° |
| C4 | C5 | C6 | N7 | 4.6° | 104.9° |
| C4 | C5 | C23 | CL24 | 179.8° | 179.9° |
| C4 | C5 | C23 | C25 | 0.1° | 0.2° |
| C5 | C4 | C3 | H3 | 179.8° | 179.9° |
| C4 | C5 | C6 | H6 | 115.5° | 135.0° |
| C4 | C5 | C6 | H6A | 124.6° | 15.0° |
| C5 | C6 | N7 | H6 | 120.0° | 120.0° |
| C5 | C6 | N7 | H6A | 120.0° | 120.0° |
| C5 | C6 | N7 | C8 | 86.1° | 180.0° |
| C6 | C5 | C23 | CL24 | 0.5° | 0.0° |
| C6 | C5 | C23 | C25 | 179.5° | 179.8° |
| C6 | C5 | C4 | H4 | 0.4° | 0.1° |
| C5 | C6 | H6 | H6A | 119.3° | 120.0° |
| C5 | C6 | N7 | HN7 | 93.9° | 0.1° |
| C23 | C5 | C6 | N7 | 176.1° | 75.0° |
| C5 | C23 | CL24 | C25 | 179.9° | 179.7° |
| C23 | C5 | C4 | H4 | 179.7° | 180.0° |
| C23 | C5 | C6 | H6 | 63.9° | 45.1° |
| C23 | C5 | C6 | H6A | 56.1° | 165.1° |
| C5 | C23 | C25 | H25 | 179.9° | 179.8° |
| C6 | N7 | C8 | HN7 | 180.0° | 179.9° |
| C6 | N7 | C8 | O9 | 0.4° | 4.9° |
| C6 | N7 | C8 | N10 | 178.9° | 175.0° |
| N7 | C6 | H6 | H6A | 119.3° | 120.0° |
| N7 | C8 | O9 | N10 | 179.2° | 179.9° |
| N7 | C8 | N10 | C11 | 179.2° | 174.8° |
| N7 | C8 | N10 | C15 | 0.9° | 5.0° |
| C8 | N7 | C6 | H6 | 33.9° | 60.0° |
| C8 | N7 | C6 | H6A | 153.9° | 60.0° |
| O9 | C8 | N10 | C11 | 1.6° | 5.2° |
| O9 | C8 | N10 | C15 | 179.9° | 175.1° |
| O9 | C8 | N7 | HN7 | 179.6° | 175.0° |
| C8 | N10 | C11 | C15 | 178.3° | 179.8° |
| C8 | N10 | C11 | C12 | 137.2° | 126.4° |
| C8 | N10 | C15 | C14 | 164.1° | 126.4° |
| N10 | C8 | N7 | HN7 | 1.1° | 5.1° |
| C8 | N10 | C11 | H11 | 102.7° | 6.6° |
| C8 | N10 | C11 | H11A | 17.2° | 113.9° |
| C8 | N10 | C15 | H15 | 75.9° | 113.9° |
| C8 | N10 | C15 | H15A | 44.0° | 6.6° |
| N10 | C11 | C12 | H11 | 120.0° | 119.8° |
| N10 | C11 | C12 | H11A | 120.0° | 119.8° |
| N10 | C11 | C12 | C13 | 51.5° | 54.6° |
| C11 | N10 | C15 | C14 | 14.2° | 53.9° |
| N10 | C11 | H11 | H11A | 120.2° | 120.4° |
| N10 | C11 | C12 | H12 | 171.5° | 65.4° |
| N10 | C11 | C12 | H12A | 68.5° | 174.5° |
| C11 | N10 | C15 | H15 | 105.8° | 65.9° |
| C11 | N10 | C15 | H15A | 134.2° | 173.6° |
| C15 | N10 | C11 | C12 | 44.5° | 53.8° |
| N10 | C15 | C14 | C13 | 64.1° | 54.8° |
| N10 | C15 | C14 | H15 | 120.0° | 119.7° |
| N10 | C15 | C14 | H15A | 120.0° | 119.7° |
| C15 | N10 | C11 | H11 | 75.6° | 173.6° |
| C15 | N10 | C11 | H11A | 164.5° | 65.9° |
| N10 | C15 | C14 | H14 | 56.0° | 65.1° |
| N10 | C15 | C14 | H14A | 175.9° | 174.7° |
| N10 | C15 | H15 | H15A | 120.9° | 120.4° |
| C11 | C12 | C13 | H12 | 120.0° | 119.9° |
| C11 | C12 | C13 | H12A | 120.0° | 119.9° |
| C11 | C12 | C13 | C14 | 2.5° | 61.3° |
| C11 | C12 | C13 | O16 | 121.0° | 178.6° |
| C12 | C11 | H11 | H11A | 120.2° | 120.3° |
| C11 | C12 | H12 | H12A | 119.5° | 120.0° |
| C11 | C12 | C13 | H13 | 119.7° | 58.7° |
| C12 | C13 | C14 | O16 | 123.6° | 120.0° |
| C12 | C13 | C14 | H13 | 117.1° | 120.0° |
| C12 | C13 | O16 | H13 | 117.3° | 120.0° |
| C12 | C13 | C14 | C15 | 55.7° | 61.5° |
| C12 | C13 | O16 | C17 | 68.4° | 150.0° |
| C13 | C12 | C11 | H11 | 68.5° | 174.4° |
| C13 | C12 | C11 | H11A | 171.5° | 65.2° |
| C13 | C12 | H12 | H12A | 119.5° | 120.1° |
| C12 | C13 | C14 | H14 | 64.3° | 58.6° |
| C12 | C13 | C14 | H14A | 175.7° | 178.6° |
| C14 | C13 | O16 | H13 | 117.5° | 119.9° |
| C13 | C14 | C15 | H14 | 120.0° | 119.9° |
| C13 | C14 | C15 | H14A | 120.0° | 119.9° |
| C14 | C13 | O16 | C17 | 56.9° | 89.9° |
| C14 | C13 | C12 | H12 | 122.5° | 58.6° |
| C14 | C13 | C12 | H12A | 117.5° | 178.8° |
| C13 | C14 | H14 | H14A | 121.4° | 120.1° |
| C13 | C14 | C15 | H15 | 55.9° | 64.9° |
| C13 | C14 | C15 | H15A | 175.9° | 174.5° |
| O16 | C13 | C14 | C15 | 179.3° | 178.5° |
| C13 | O16 | C17 | N18 | 17.8° | 180.0° |
| C13 | O16 | C17 | N22 | 163.3° | 0.2° |
| O16 | C13 | C12 | H12 | 1.0° | 61.4° |
| O16 | C13 | C12 | H12A | 119.0° | 58.7° |
| O16 | C13 | C14 | H14 | 59.3° | 61.5° |
| O16 | C13 | C14 | H14A | 60.7° | 58.6° |
| C15 | C14 | C13 | H13 | 61.4° | 58.6° |
| C15 | C14 | H14 | H14A | 121.3° | 120.1° |
| C14 | C15 | H15 | H15A | 120.9° | 120.5° |
| O16 | C17 | N18 | N22 | 178.8° | 179.8° |
| O16 | C17 | N18 | C19 | 179.6° | 180.0° |
| O16 | C17 | N22 | C21 | 179.7° | 179.8° |
| C17 | O16 | C13 | H13 | 174.3° | 30.0° |
| C17 | N18 | C19 | C20 | 0.4° | 0.0° |
| N18 | C17 | N22 | C21 | 0.8° | 0.4° |
| C17 | N18 | C19 | H19 | 179.6° | 180.0° |
| N22 | C17 | N18 | C19 | 0.8° | 0.2° |
| C17 | N22 | C21 | C20 | 0.5° | 0.4° |
| C17 | N22 | C21 | H21 | 179.5° | 179.8° |
| N18 | C19 | C20 | H19 | 180.0° | 180.0° |
| N18 | C19 | C20 | C21 | 0.0° | 0.0° |
| N18 | C19 | C20 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | N22 | 0.1° | 0.2° |
| C19 | C20 | C21 | H21 | 179.9° | 180.0° |
| C20 | C21 | N22 | H21 | 180.0° | 179.7° |
| C21 | C20 | C19 | H19 | 180.0° | 180.0° |
| N22 | C21 | C20 | H20 | 179.9° | 179.8° |
| CL24 | C23 | C25 | H25 | 0.0° | 0.0° |
| H3 | C3 | C4 | H4 | 0.2° | 0.0° |
| H6 | C6 | N7 | HN7 | 146.1° | 120.0° |
| H6A | C6 | N7 | HN7 | 26.1° | 120.0° |
| H11 | C11 | C12 | H12 | 51.5° | 54.5° |
| H11 | C11 | C12 | H12A | 171.5° | 65.6° |
| H11A | C11 | C12 | H12 | 68.5° | 174.9° |
| H11A | C11 | C12 | H12A | 51.5° | 54.8° |
| H12 | C12 | C13 | H13 | 120.3° | 178.6° |
| H12A | C12 | C13 | H13 | 0.3° | 61.3° |
| H13 | C13 | C14 | H14 | 178.6° | 178.6° |
| H13 | C13 | C14 | H14A | 58.6° | 61.3° |
| H14 | C14 | C15 | H15 | 176.0° | 175.2° |
| H14 | C14 | C15 | H15A | 64.1° | 54.6° |
| H14A | C14 | C15 | H15 | 64.1° | 55.0° |
| H14A | C14 | C15 | H15A | 55.9° | 65.5° |
| H19 | C19 | C20 | H20 | 0.0° | 0.0° |
| H20 | C20 | C21 | H21 | 0.1° | 0.1° |
