4P1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | N2 | sing | 1.46Å | 1.46Å | |
| N2 | C22 | sing | 1.35Å | 1.34Å | |
| C22 | O2 | doub | 1.22Å | 1.21Å | |
| C22 | C21 | sing | 1.48Å | 1.50Å | |
| C20 | C21 | doub | 1.40Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C24 | sing | 1.39Å | 1.41Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.50Å | Aromatic |
| C18 | CL2 | sing | 1.74Å | 1.81Å | |
| C17 | C16 | sing | 1.48Å | 1.49Å | |
| C16 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
| C16 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.48Å | Aromatic |
| C12 | C10 | sing | 1.51Å | 1.52Å | |
| C11 | N1 | sing | 1.40Å | 1.37Å | |
| C10 | C9 | sing | 1.53Å | 1.55Å | |
| N1 | C1 | sing | 1.35Å | 1.37Å | |
| N1 | C8 | sing | 1.47Å | 1.45Å | |
| C1 | O1 | doub | 1.22Å | 1.24Å | |
| C1 | C2 | sing | 1.48Å | 1.54Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | doub | 1.40Å | 1.52Å | Aromatic |
| C2 | C7 | sing | 1.40Å | 1.50Å | Aromatic |
| F | C3 | sing | 1.35Å | 1.35Å | |
| CL1 | C7 | sing | 1.74Å | 1.79Å | |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C19 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | H9 | sing | 1.08Å | 1.08Å | |
| C5 | H10 | sing | 1.08Å | 1.08Å | |
| C6 | H11 | sing | 1.08Å | 1.08Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | N2 | C22 | 129.0° | 120.0° |
| C23 | N2 | H12 | 115.4° | 120.0° |
| N2 | C23 | H13 | 109.5° | 109.4° |
| N2 | C23 | H14 | 109.5° | 109.5° |
| N2 | C23 | H15 | 109.5° | 109.5° |
| N2 | C22 | O2 | 120.3° | 120.0° |
| N2 | C22 | C21 | 123.8° | 120.0° |
| C22 | N2 | H12 | 115.5° | 120.0° |
| O2 | C22 | C21 | 115.8° | 120.0° |
| C22 | C21 | C20 | 119.7° | 120.1° |
| C22 | C21 | C24 | 120.0° | 120.1° |
| C21 | C20 | C19 | 121.3° | 120.1° |
| C20 | C21 | C24 | 120.3° | 119.8° |
| C21 | C20 | H7 | 119.4° | 119.9° |
| C20 | C19 | C18 | 120.8° | 120.3° |
| C20 | C19 | H6 | 119.6° | 119.9° |
| C19 | C20 | H7 | 119.3° | 120.0° |
| C21 | C24 | C17 | 119.9° | 119.7° |
| C21 | C24 | H8 | 120.0° | 120.1° |
| C19 | C18 | C17 | 118.2° | 120.1° |
| C19 | C18 | CL2 | 119.7° | 119.9° |
| C18 | C19 | H6 | 119.6° | 119.8° |
| C24 | C17 | C18 | 119.4° | 119.9° |
| C24 | C17 | C16 | 126.7° | 120.0° |
| C17 | C24 | H8 | 120.1° | 120.2° |
| C17 | C18 | CL2 | 122.1° | 120.0° |
| C18 | C17 | C16 | 113.9° | 120.0° |
| C17 | C16 | C15 | 117.9° | 120.0° |
| C17 | C16 | C13 | 119.7° | 120.1° |
| C15 | C16 | C13 | 122.2° | 119.9° |
| C16 | C15 | C14 | 121.0° | 119.8° |
| C16 | C15 | H5 | 119.5° | 120.1° |
| C16 | C13 | C12 | 119.0° | 120.2° |
| C16 | C13 | H3 | 120.5° | 119.9° |
| C15 | C14 | C11 | 118.0° | 120.2° |
| C15 | C14 | H4 | 121.0° | 119.9° |
| C14 | C15 | H5 | 119.5° | 120.1° |
| C13 | C12 | C11 | 117.2° | 119.7° |
| C13 | C12 | C10 | 123.3° | 118.9° |
| C12 | C13 | H3 | 120.5° | 119.9° |
| C14 | C11 | C12 | 122.5° | 120.2° |
| C14 | C11 | N1 | 124.0° | 119.0° |
| C11 | C14 | H4 | 121.0° | 119.9° |
| C11 | C12 | C10 | 119.5° | 121.4° |
| C12 | C11 | N1 | 113.1° | 120.8° |
| C12 | C10 | C9 | 113.9° | 110.5° |
| C12 | C10 | H1 | 108.3° | 109.3° |
| C12 | C10 | H2 | 108.4° | 109.2° |
| C11 | N1 | C1 | 110.2° | 120.5° |
| C11 | N1 | C8 | 116.0° | 118.9° |
| C10 | C9 | C8 | 116.1° | 108.9° |
| C9 | C10 | H1 | 108.3° | 109.3° |
| C9 | C10 | H2 | 108.3° | 109.2° |
| C10 | C9 | H16 | 107.8° | 109.6° |
| C10 | C9 | H17 | 107.8° | 109.6° |
| C1 | N1 | C8 | 132.0° | 120.5° |
| N1 | C1 | O1 | 117.9° | 120.0° |
| N1 | C1 | C2 | 124.7° | 120.0° |
| N1 | C8 | C9 | 102.2° | 107.7° |
| N1 | C8 | H18 | 111.3° | 109.8° |
| N1 | C8 | H19 | 111.3° | 109.9° |
| O1 | C1 | C2 | 117.1° | 120.0° |
| C1 | C2 | C3 | 110.4° | 120.2° |
| C1 | C2 | C7 | 113.9° | 120.2° |
| C8 | C9 | H16 | 107.8° | 109.5° |
| C8 | C9 | H17 | 107.8° | 109.7° |
| C9 | C8 | H18 | 111.2° | 109.8° |
| C9 | C8 | H19 | 111.2° | 109.8° |
| C3 | C2 | C7 | 111.8° | 119.6° |
| C2 | C3 | F | 122.5° | 120.1° |
| C2 | C3 | C4 | 122.6° | 119.9° |
| C2 | C7 | CL1 | 122.4° | 120.0° |
| C2 | C7 | C6 | 122.2° | 119.8° |
| F | C3 | C4 | 115.0° | 120.0° |
| CL1 | C7 | C6 | 115.3° | 120.1° |
| C3 | C4 | C5 | 120.7° | 120.1° |
| C3 | C4 | H9 | 119.7° | 120.0° |
| C7 | C6 | C5 | 121.4° | 120.2° |
| C7 | C6 | H11 | 119.3° | 119.8° |
| C4 | C5 | C6 | 121.3° | 120.4° |
| C5 | C4 | H9 | 119.7° | 119.9° |
| C4 | C5 | H10 | 119.4° | 119.8° |
| C6 | C5 | H10 | 119.3° | 119.8° |
| C5 | C6 | H11 | 119.3° | 119.9° |
| H1 | C10 | H2 | 109.5° | 109.3° |
| H13 | C23 | H14 | 109.5° | 109.5° |
| H13 | C23 | H15 | 109.5° | 109.4° |
| H14 | C23 | H15 | 109.5° | 109.5° |
| H16 | C9 | H17 | 109.5° | 109.6° |
| H18 | C8 | H19 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | N2 | C22 | H12 | 180.0° | 179.9° |
| C23 | N2 | C22 | O2 | 2.6° | 0.1° |
| C23 | N2 | C22 | C21 | 179.0° | 180.0° |
| N2 | C23 | H13 | H14 | 120.0° | 120.0° |
| N2 | C23 | H13 | H15 | 120.0° | 120.0° |
| N2 | C23 | H14 | H15 | 120.0° | 120.1° |
| N2 | C22 | O2 | C21 | 176.7° | 180.0° |
| N2 | C22 | C21 | C20 | 18.3° | 0.0° |
| N2 | C22 | C21 | C24 | 164.0° | 180.0° |
| C22 | N2 | C23 | H13 | 180.0° | 60.1° |
| C22 | N2 | C23 | H14 | 60.0° | 59.9° |
| C22 | N2 | C23 | H15 | 60.0° | 180.0° |
| O2 | C22 | C21 | C20 | 158.2° | 180.0° |
| O2 | C22 | C21 | C24 | 19.4° | 0.0° |
| O2 | C22 | N2 | H12 | 177.3° | 180.0° |
| C22 | C21 | C20 | C24 | 177.6° | 180.0° |
| C22 | C21 | C20 | C19 | 178.2° | 180.0° |
| C22 | C21 | C24 | C17 | 178.7° | 180.0° |
| C22 | C21 | C20 | H7 | 1.8° | 0.0° |
| C22 | C21 | C24 | H8 | 1.3° | 0.0° |
| C21 | C22 | N2 | H12 | 0.9° | 0.0° |
| C21 | C20 | C19 | H7 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 0.2° | 0.1° |
| C20 | C21 | C24 | C17 | 1.1° | 0.0° |
| C21 | C20 | C19 | H6 | 179.8° | 179.7° |
| C20 | C21 | C24 | H8 | 178.9° | 180.0° |
| C19 | C20 | C21 | C24 | 0.6° | 0.0° |
| C20 | C19 | C18 | H6 | 180.0° | 179.6° |
| C20 | C19 | C18 | C17 | 0.4° | 0.1° |
| C20 | C19 | C18 | CL2 | 179.4° | 179.7° |
| C21 | C24 | C17 | H8 | 180.0° | 180.0° |
| C21 | C24 | C17 | C18 | 1.2° | 0.0° |
| C21 | C24 | C17 | C16 | 178.9° | 180.0° |
| C24 | C21 | C20 | H7 | 179.4° | 180.0° |
| C19 | C18 | C17 | C24 | 0.8° | 0.1° |
| C19 | C18 | C17 | CL2 | 179.8° | 179.8° |
| C19 | C18 | C17 | C16 | 178.8° | 180.0° |
| C18 | C19 | C20 | H7 | 179.8° | 180.0° |
| C24 | C17 | C18 | C16 | 178.0° | 180.0° |
| C24 | C17 | C18 | CL2 | 178.9° | 179.7° |
| C24 | C17 | C16 | C15 | 118.3° | 50.1° |
| C24 | C17 | C16 | C13 | 65.9° | 130.0° |
| C18 | C17 | C16 | C15 | 63.9° | 130.0° |
| C18 | C17 | C16 | C13 | 111.8° | 50.0° |
| C17 | C18 | C19 | H6 | 179.6° | 179.7° |
| C18 | C17 | C24 | H8 | 178.8° | 180.0° |
| CL2 | C18 | C17 | C16 | 1.0° | 0.2° |
| CL2 | C18 | C19 | H6 | 0.6° | 0.1° |
| C17 | C16 | C15 | C13 | 175.7° | 180.0° |
| C17 | C16 | C15 | C14 | 177.4° | 179.9° |
| C17 | C16 | C13 | C12 | 177.8° | 179.9° |
| C17 | C16 | C13 | H3 | 2.2° | 0.0° |
| C17 | C16 | C15 | H5 | 2.6° | 0.1° |
| C16 | C17 | C24 | H8 | 1.1° | 0.0° |
| C16 | C15 | C14 | H5 | 180.0° | 180.0° |
| C15 | C16 | C13 | C12 | 2.2° | 0.0° |
| C16 | C15 | C14 | C11 | 0.6° | 0.1° |
| C15 | C16 | C13 | H3 | 177.8° | 180.0° |
| C16 | C15 | C14 | H4 | 179.5° | 180.0° |
| C13 | C16 | C15 | C14 | 1.7° | 0.1° |
| C16 | C13 | C12 | H3 | 180.0° | 179.9° |
| C16 | C13 | C12 | C11 | 0.4° | 0.1° |
| C16 | C13 | C12 | C10 | 178.9° | 179.8° |
| C13 | C16 | C15 | H5 | 178.3° | 179.9° |
| C15 | C14 | C11 | H4 | 180.0° | 179.9° |
| C15 | C14 | C11 | C12 | 2.4° | 0.0° |
| C15 | C14 | C11 | N1 | 174.6° | 179.9° |
| C13 | C12 | C11 | C14 | 1.9° | 0.1° |
| C13 | C12 | C11 | C10 | 179.4° | 179.8° |
| C13 | C12 | C11 | N1 | 174.9° | 179.8° |
| C13 | C12 | C10 | C9 | 166.3° | 159.6° |
| C13 | C12 | C10 | H1 | 73.1° | 80.1° |
| C13 | C12 | C10 | H2 | 45.6° | 39.4° |
| C14 | C11 | C12 | N1 | 173.1° | 179.9° |
| C14 | C11 | C12 | C10 | 178.8° | 179.7° |
| C14 | C11 | N1 | C1 | 60.0° | 13.4° |
| C14 | C11 | N1 | C8 | 133.5° | 166.6° |
| C11 | C14 | C15 | H5 | 179.4° | 179.9° |
| C11 | C12 | C10 | C9 | 13.1° | 20.6° |
| C12 | C11 | N1 | C1 | 113.0° | 166.5° |
| C12 | C11 | N1 | C8 | 53.5° | 13.5° |
| C11 | C12 | C10 | H1 | 107.6° | 99.7° |
| C11 | C12 | C10 | H2 | 133.7° | 140.8° |
| C11 | C12 | C13 | H3 | 179.6° | 179.9° |
| C12 | C11 | C14 | H4 | 177.7° | 179.9° |
| C10 | C12 | C11 | N1 | 5.7° | 0.4° |
| C12 | C10 | C9 | H1 | 120.6° | 120.3° |
| C12 | C10 | C9 | H2 | 120.7° | 120.2° |
| C12 | C10 | C9 | C8 | 10.6° | 51.4° |
| C12 | C10 | H1 | H2 | 118.0° | 119.4° |
| C10 | C12 | C13 | H3 | 1.1° | 0.3° |
| C12 | C10 | C9 | H16 | 110.4° | 171.2° |
| C12 | C10 | C9 | H17 | 131.5° | 68.6° |
| C11 | N1 | C1 | C8 | 163.6° | 180.0° |
| C11 | N1 | C1 | O1 | 72.5° | 3.5° |
| C11 | N1 | C1 | C2 | 101.6° | 176.8° |
| C11 | N1 | C8 | C9 | 74.1° | 44.7° |
| N1 | C11 | C14 | H4 | 5.4° | 0.2° |
| C11 | N1 | C8 | H18 | 44.8° | 74.8° |
| C11 | N1 | C8 | H19 | 167.1° | 164.4° |
| C10 | C9 | C8 | N1 | 48.2° | 63.3° |
| C10 | C9 | C8 | H16 | 121.0° | 119.8° |
| C10 | C9 | C8 | H17 | 121.0° | 119.9° |
| C9 | C10 | H1 | H2 | 117.9° | 119.5° |
| C10 | C9 | H16 | H17 | 117.0° | 120.3° |
| C10 | C9 | C8 | H18 | 70.7° | 56.2° |
| C10 | C9 | C8 | H19 | 167.0° | 177.0° |
| N1 | C1 | O1 | C2 | 174.5° | 179.7° |
| C1 | N1 | C8 | C9 | 88.8° | 135.3° |
| N1 | C1 | C2 | C3 | 175.8° | 86.9° |
| N1 | C1 | C2 | C7 | 49.0° | 92.8° |
| C1 | N1 | C8 | H18 | 152.4° | 105.2° |
| C1 | N1 | C8 | H19 | 30.0° | 15.6° |
| C8 | N1 | C1 | O1 | 91.1° | 176.5° |
| C8 | N1 | C1 | C2 | 94.8° | 3.2° |
| N1 | C8 | C9 | H18 | 118.9° | 119.6° |
| N1 | C8 | C9 | H19 | 118.8° | 119.7° |
| N1 | C8 | C9 | H16 | 72.8° | 176.9° |
| N1 | C8 | C9 | H17 | 169.2° | 56.6° |
| N1 | C8 | H18 | H19 | 123.4° | 120.9° |
| O1 | C1 | C2 | C3 | 10.0° | 92.8° |
| O1 | C1 | C2 | C7 | 136.8° | 87.5° |
| C1 | C2 | C3 | C7 | 127.9° | 179.7° |
| C1 | C2 | C3 | F | 51.8° | 0.1° |
| C1 | C2 | C7 | CL1 | 55.0° | 0.0° |
| C1 | C2 | C3 | C4 | 128.4° | 179.9° |
| C1 | C2 | C7 | C6 | 126.4° | 180.0° |
| C8 | C9 | C10 | H1 | 131.2° | 68.9° |
| C8 | C9 | C10 | H2 | 110.1° | 171.6° |
| C8 | C9 | H16 | H17 | 117.0° | 120.4° |
| C9 | C8 | H18 | H19 | 123.3° | 120.8° |
| C2 | C3 | F | C4 | 179.8° | 180.0° |
| C3 | C2 | C7 | CL1 | 179.0° | 179.7° |
| C3 | C2 | C7 | C6 | 0.4° | 0.3° |
| C2 | C3 | C4 | C5 | 0.8° | 0.0° |
| C2 | C3 | C4 | H9 | 179.2° | 180.0° |
| C7 | C2 | C3 | F | 179.7° | 179.8° |
| C2 | C7 | CL1 | C6 | 178.7° | 180.0° |
| C7 | C2 | C3 | C4 | 0.4° | 0.3° |
| C2 | C7 | C6 | C5 | 0.8° | 0.0° |
| C2 | C7 | C6 | H11 | 179.2° | 180.0° |
| F | C3 | C4 | C5 | 179.4° | 180.0° |
| F | C3 | C4 | H9 | 0.7° | 0.0° |
| CL1 | C7 | C6 | C5 | 179.5° | 180.0° |
| CL1 | C7 | C6 | H11 | 0.6° | 0.0° |
| C3 | C4 | C5 | H9 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 1.1° | 0.3° |
| C3 | C4 | C5 | H10 | 178.9° | 180.0° |
| C7 | C6 | C5 | C4 | 1.1° | 0.3° |
| C7 | C6 | C5 | H11 | 180.0° | 180.0° |
| C7 | C6 | C5 | H10 | 178.9° | 180.0° |
| C4 | C5 | C6 | H10 | 180.0° | 179.7° |
| C4 | C5 | C6 | H11 | 178.9° | 179.7° |
| C6 | C5 | C4 | H9 | 178.8° | 179.8° |
| H1 | C10 | C9 | H16 | 10.3° | 50.9° |
| H1 | C10 | C9 | H17 | 107.8° | 171.1° |
| H2 | C10 | C9 | H16 | 128.9° | 68.7° |
| H2 | C10 | C9 | H17 | 10.9° | 51.6° |
| H4 | C14 | C15 | H5 | 0.5° | 0.0° |
| H6 | C19 | C20 | H7 | 0.2° | 0.4° |
| H9 | C4 | C5 | H10 | 1.1° | 0.0° |
| H10 | C5 | C6 | H11 | 1.1° | 0.0° |
| H12 | N2 | C23 | H13 | 0.0° | 120.0° |
| H12 | N2 | C23 | H14 | 120.0° | 120.0° |
| H12 | N2 | C23 | H15 | 120.0° | 0.1° |
| H13 | C23 | H14 | H15 | 120.0° | 119.9° |
| H16 | C9 | C8 | H18 | 168.4° | 63.5° |
| H16 | C9 | C8 | H19 | 46.1° | 57.2° |
| H17 | C9 | C8 | H18 | 50.3° | 176.1° |
| H17 | C9 | C8 | H19 | 72.0° | 63.1° |
