XP7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| F25 | C5 | sing | 1.35Å | 1.34Å | |
| C1 | C4 | sing | 1.39Å | 1.37Å | Aromatic |
| C5 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| C11 | C13 | sing | 1.53Å | 1.50Å | |
| C11 | C15 | sing | 1.53Å | 1.53Å | |
| C18 | O24 | sing | 1.43Å | 1.43Å | |
| C18 | C15 | sing | 1.53Å | 1.56Å | |
| C4 | O24 | sing | 1.36Å | 1.37Å | |
| C4 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | N21 | sing | 1.47Å | 1.44Å | |
| C15 | C12 | sing | 1.53Å | 1.51Å | |
| C6 | CL26 | sing | 1.74Å | 1.69Å | |
| C9 | C10 | sing | 1.55Å | 1.50Å | |
| C9 | C7 | sing | 1.51Å | 1.52Å | |
| C10 | C16 | sing | 1.55Å | 1.53Å | |
| C16 | N20 | sing | 1.47Å | 1.44Å | |
| C16 | C19 | sing | 1.53Å | 1.54Å | |
| C17 | C19 | sing | 1.53Å | 1.51Å | |
| C17 | C8 | sing | 1.51Å | 1.51Å | |
| N21 | C8 | sing | 1.35Å | 1.32Å | |
| N21 | C14 | sing | 1.47Å | 1.44Å | |
| C7 | N20 | sing | 1.34Å | 1.39Å | |
| C7 | O22 | doub | 1.21Å | 1.23Å | |
| C12 | C14 | sing | 1.53Å | 1.49Å | |
| C8 | O23 | doub | 1.21Å | 1.22Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| N20 | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C5 | 122.1° | 120.0° |
| C2 | C1 | C4 | 117.6° | 120.0° |
| C2 | C1 | H8 | 121.2° | 120.0° |
| C1 | C2 | H9 | 118.9° | 120.0° |
| C2 | C5 | F25 | 120.0° | 119.9° |
| C2 | C5 | C3 | 120.6° | 120.1° |
| C5 | C2 | H9 | 118.9° | 120.0° |
| F25 | C5 | C3 | 119.4° | 120.0° |
| C1 | C4 | O24 | 121.5° | 120.0° |
| C1 | C4 | C6 | 119.7° | 119.9° |
| C4 | C1 | H8 | 121.2° | 120.0° |
| C5 | C3 | C6 | 116.7° | 120.0° |
| C5 | C3 | H10 | 121.6° | 120.0° |
| C13 | C11 | C15 | 112.5° | 109.3° |
| C11 | C13 | N21 | 108.9° | 108.7° |
| C11 | C13 | H3 | 109.6° | 109.6° |
| C11 | C13 | H4 | 109.6° | 109.7° |
| C13 | C11 | H13 | 108.7° | 109.5° |
| C13 | C11 | H14 | 108.7° | 109.5° |
| C11 | C15 | C18 | 107.6° | 109.5° |
| C11 | C15 | C12 | 110.7° | 109.5° |
| C11 | C15 | H5 | 111.1° | 109.5° |
| C15 | C11 | H13 | 108.7° | 109.5° |
| C15 | C11 | H14 | 108.7° | 109.5° |
| O24 | C18 | C15 | 105.2° | 109.4° |
| C18 | O24 | C4 | 109.6° | 117.0° |
| O24 | C18 | H20 | 110.5° | 109.5° |
| O24 | C18 | H21 | 110.5° | 109.5° |
| C18 | C15 | C12 | 105.4° | 109.4° |
| C18 | C15 | H5 | 110.6° | 109.5° |
| C15 | C18 | H20 | 110.5° | 109.5° |
| C15 | C18 | H21 | 110.5° | 109.5° |
| O24 | C4 | C6 | 118.8° | 120.0° |
| C4 | C6 | C3 | 123.3° | 119.9° |
| C4 | C6 | CL26 | 120.2° | 120.0° |
| C3 | C6 | CL26 | 116.6° | 120.1° |
| C6 | C3 | H10 | 121.7° | 120.0° |
| C13 | N21 | C8 | 122.0° | 120.6° |
| C13 | N21 | C14 | 120.9° | 118.8° |
| N21 | C13 | H3 | 109.6° | 109.6° |
| N21 | C13 | H4 | 109.6° | 109.6° |
| C15 | C12 | C14 | 112.9° | 109.3° |
| C12 | C15 | H5 | 111.2° | 109.4° |
| C15 | C12 | H15 | 108.6° | 109.5° |
| C15 | C12 | H16 | 108.6° | 109.5° |
| C10 | C9 | C7 | 101.5° | 104.2° |
| C9 | C10 | C16 | 107.4° | 101.7° |
| C9 | C10 | H1 | 110.0° | 110.7° |
| C9 | C10 | H2 | 110.0° | 111.3° |
| C10 | C9 | H11 | 111.4° | 110.5° |
| C10 | C9 | H12 | 111.4° | 110.4° |
| C9 | C7 | N20 | 109.5° | 110.1° |
| C9 | C7 | O22 | 124.1° | 125.0° |
| C7 | C9 | H11 | 111.4° | 110.5° |
| C7 | C9 | H12 | 111.4° | 110.5° |
| C10 | C16 | N20 | 102.8° | 105.4° |
| C10 | C16 | C19 | 113.9° | 110.2° |
| C16 | C10 | H1 | 110.0° | 111.0° |
| C16 | C10 | H2 | 110.0° | 110.9° |
| C10 | C16 | H19 | 109.0° | 110.2° |
| N20 | C16 | C19 | 111.9° | 110.3° |
| C16 | N20 | C7 | 112.7° | 111.3° |
| N20 | C16 | H19 | 110.3° | 110.3° |
| C16 | N20 | H24 | 123.7° | 124.3° |
| C16 | C19 | C17 | 111.1° | 109.5° |
| C19 | C16 | H19 | 108.8° | 110.3° |
| C16 | C19 | H22 | 109.1° | 109.5° |
| C16 | C19 | H23 | 109.1° | 109.5° |
| C19 | C17 | C8 | 110.3° | 109.5° |
| C19 | C17 | H6 | 109.3° | 109.5° |
| C19 | C17 | H7 | 109.3° | 109.5° |
| C17 | C19 | H22 | 109.1° | 109.5° |
| C17 | C19 | H23 | 109.1° | 109.5° |
| C17 | C8 | N21 | 114.6° | 120.0° |
| C17 | C8 | O23 | 125.3° | 120.0° |
| C8 | C17 | H6 | 109.3° | 109.4° |
| C8 | C17 | H7 | 109.2° | 109.5° |
| C8 | N21 | C14 | 115.4° | 120.6° |
| N21 | C8 | O23 | 120.0° | 120.0° |
| N21 | C14 | C12 | 113.1° | 108.8° |
| N21 | C14 | H17 | 108.5° | 109.7° |
| N21 | C14 | H18 | 108.6° | 109.7° |
| N20 | C7 | O22 | 126.4° | 124.9° |
| C7 | N20 | H24 | 123.7° | 124.3° |
| C14 | C12 | H15 | 108.6° | 109.5° |
| C14 | C12 | H16 | 108.6° | 109.5° |
| C12 | C14 | H17 | 108.5° | 109.5° |
| C12 | C14 | H18 | 108.5° | 109.5° |
| H1 | C10 | H2 | 109.4° | 110.9° |
| H3 | C13 | H4 | 109.5° | 109.6° |
| H6 | C17 | H7 | 109.5° | 109.5° |
| H11 | C9 | H12 | 109.5° | 110.5° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.5° | 109.6° |
| H17 | C14 | H18 | 109.5° | 109.6° |
| H20 | C18 | H21 | 109.5° | 109.5° |
| H22 | C19 | H23 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C5 | H9 | 180.0° | 180.0° |
| C1 | C2 | C5 | F25 | 179.8° | 180.0° |
| C2 | C1 | C4 | H8 | 180.0° | 180.0° |
| C1 | C2 | C5 | C3 | 0.4° | 0.3° |
| C2 | C1 | C4 | O24 | 179.7° | 180.0° |
| C2 | C1 | C4 | C6 | 0.3° | 0.2° |
| C2 | C5 | F25 | C3 | 179.8° | 179.8° |
| C5 | C2 | C1 | C4 | 0.0° | 0.0° |
| C2 | C5 | C3 | C6 | 0.4° | 0.2° |
| C5 | C2 | C1 | H8 | 180.0° | 180.0° |
| C2 | C5 | C3 | H10 | 179.6° | 179.9° |
| F25 | C5 | C3 | C6 | 179.8° | 180.0° |
| F25 | C5 | C2 | H9 | 0.2° | 0.0° |
| F25 | C5 | C3 | H10 | 0.2° | 0.2° |
| C1 | C4 | O24 | C18 | 8.6° | 0.3° |
| C1 | C4 | O24 | C6 | 180.0° | 179.7° |
| C1 | C4 | C6 | C3 | 0.3° | 0.3° |
| C1 | C4 | C6 | CL26 | 179.7° | 179.8° |
| C4 | C1 | C2 | H9 | 180.0° | 180.0° |
| C5 | C3 | C6 | C4 | 0.0° | 0.0° |
| C5 | C3 | C6 | H10 | 180.0° | 179.8° |
| C5 | C3 | C6 | CL26 | 179.9° | 180.0° |
| C3 | C5 | C2 | H9 | 179.6° | 179.8° |
| C13 | C11 | C15 | H13 | 120.5° | 119.9° |
| C13 | C11 | C15 | H14 | 120.5° | 120.0° |
| C13 | C11 | C15 | C18 | 170.4° | 178.6° |
| C11 | C13 | N21 | H3 | 119.9° | 119.8° |
| C11 | C13 | N21 | H4 | 119.9° | 119.9° |
| C13 | C11 | C15 | C12 | 55.7° | 61.4° |
| C11 | C13 | N21 | C8 | 146.8° | 126.4° |
| C11 | C13 | N21 | C14 | 48.6° | 53.6° |
| C11 | C13 | H3 | H4 | 120.2° | 120.4° |
| C13 | C11 | C15 | H5 | 68.4° | 58.6° |
| C13 | C11 | H13 | H14 | 118.6° | 120.1° |
| C11 | C15 | C18 | O24 | 172.4° | 64.9° |
| C11 | C15 | C18 | C12 | 118.2° | 120.1° |
| C11 | C15 | C18 | H5 | 121.5° | 120.0° |
| C15 | C11 | C13 | N21 | 52.4° | 54.6° |
| C11 | C15 | C12 | H5 | 124.0° | 120.0° |
| C11 | C15 | C12 | C14 | 50.1° | 61.4° |
| C15 | C11 | C13 | H3 | 172.3° | 174.4° |
| C15 | C11 | C13 | H4 | 67.5° | 65.2° |
| C15 | C11 | H13 | H14 | 118.6° | 120.1° |
| C11 | C15 | C12 | H15 | 170.6° | 178.7° |
| C11 | C15 | C12 | H16 | 70.4° | 58.5° |
| C11 | C15 | C18 | H20 | 68.3° | 55.0° |
| C11 | C15 | C18 | H21 | 53.1° | 175.1° |
| O24 | C18 | C15 | H20 | 119.3° | 120.0° |
| O24 | C18 | C15 | H21 | 119.3° | 120.0° |
| C18 | O24 | C4 | C6 | 171.4° | 180.0° |
| O24 | C18 | C15 | C12 | 69.4° | 175.0° |
| O24 | C18 | C15 | H5 | 50.9° | 55.1° |
| O24 | C18 | H20 | H21 | 122.0° | 120.0° |
| C15 | C18 | O24 | C4 | 173.4° | 180.0° |
| C18 | C15 | C12 | H5 | 119.9° | 120.0° |
| C18 | C15 | C12 | C14 | 166.2° | 178.6° |
| C18 | C15 | C11 | H13 | 69.2° | 58.7° |
| C18 | C15 | C11 | H14 | 49.9° | 61.4° |
| C18 | C15 | C12 | H15 | 73.4° | 58.7° |
| C18 | C15 | C12 | H16 | 45.6° | 61.5° |
| C15 | C18 | H20 | H21 | 122.0° | 120.0° |
| O24 | C4 | C6 | C3 | 179.7° | 180.0° |
| O24 | C4 | C6 | CL26 | 0.3° | 0.0° |
| O24 | C4 | C1 | H8 | 0.3° | 0.0° |
| C4 | O24 | C18 | H20 | 54.0° | 60.0° |
| C4 | O24 | C18 | H21 | 67.3° | 60.0° |
| C4 | C6 | C3 | CL26 | 180.0° | 180.0° |
| C6 | C4 | C1 | H8 | 179.7° | 179.7° |
| C4 | C6 | C3 | H10 | 180.0° | 179.8° |
| C13 | N21 | C8 | C17 | 13.7° | 180.0° |
| C13 | N21 | C8 | C14 | 165.4° | 179.9° |
| C13 | N21 | C14 | C12 | 44.9° | 53.6° |
| C13 | N21 | C8 | O23 | 170.1° | 0.1° |
| N21 | C13 | H3 | H4 | 120.3° | 120.3° |
| N21 | C13 | C11 | H13 | 172.8° | 174.6° |
| N21 | C13 | C11 | H14 | 68.1° | 65.3° |
| C13 | N21 | C14 | H17 | 165.4° | 66.1° |
| C13 | N21 | C14 | H18 | 75.7° | 173.5° |
| C15 | C12 | C14 | N21 | 43.5° | 54.6° |
| C15 | C12 | C14 | H15 | 120.5° | 120.0° |
| C15 | C12 | C14 | H16 | 120.5° | 119.9° |
| C12 | C15 | C11 | H13 | 176.1° | 178.7° |
| C12 | C15 | C11 | H14 | 64.8° | 58.6° |
| C15 | C12 | H15 | H16 | 118.4° | 120.1° |
| C15 | C12 | C14 | H17 | 164.0° | 65.2° |
| C15 | C12 | C14 | H18 | 77.0° | 174.6° |
| C12 | C15 | C18 | H20 | 49.9° | 65.0° |
| C12 | C15 | C18 | H21 | 171.2° | 55.0° |
| CL26 | C6 | C3 | H10 | 0.0° | 0.2° |
| C10 | C9 | C7 | H11 | 118.7° | 118.7° |
| C10 | C9 | C7 | H12 | 118.7° | 118.7° |
| C9 | C10 | C16 | H1 | 119.7° | 117.8° |
| C9 | C10 | C16 | H2 | 119.7° | 118.4° |
| C9 | C10 | C16 | N20 | 23.0° | 25.7° |
| C9 | C10 | C16 | C19 | 144.3° | 144.7° |
| C10 | C9 | C7 | N20 | 17.8° | 16.3° |
| C10 | C9 | C7 | O22 | 160.8° | 163.5° |
| C9 | C10 | H1 | H2 | 121.0° | 124.1° |
| C10 | C9 | H11 | H12 | 123.7° | 122.6° |
| C9 | C10 | C16 | H19 | 94.0° | 93.3° |
| C7 | C9 | C10 | C16 | 24.6° | 25.0° |
| C9 | C7 | N20 | C16 | 3.8° | 0.6° |
| C9 | C7 | N20 | O22 | 178.6° | 179.8° |
| C7 | C9 | C10 | H1 | 144.3° | 143.0° |
| C7 | C9 | C10 | H2 | 95.1° | 93.2° |
| C7 | C9 | H11 | H12 | 123.7° | 122.6° |
| C9 | C7 | N20 | H24 | 176.2° | 179.4° |
| C10 | C16 | N20 | C19 | 122.6° | 119.0° |
| C10 | C16 | N20 | H19 | 116.1° | 119.0° |
| C10 | C16 | C19 | H19 | 121.8° | 122.0° |
| C10 | C16 | C19 | C17 | 76.1° | 175.0° |
| C10 | C16 | N20 | C7 | 11.8° | 17.3° |
| C16 | C10 | H1 | H2 | 120.9° | 123.8° |
| C16 | C10 | C9 | H11 | 143.3° | 93.7° |
| C16 | C10 | C9 | H12 | 94.1° | 143.7° |
| C10 | C16 | C19 | H22 | 44.1° | 65.0° |
| C10 | C16 | C19 | H23 | 163.6° | 55.0° |
| C10 | C16 | N20 | H24 | 168.2° | 162.6° |
| N20 | C16 | C19 | H19 | 122.2° | 122.1° |
| N20 | C16 | C19 | C17 | 167.8° | 69.0° |
| C16 | N20 | C7 | H24 | 180.0° | 180.0° |
| C16 | N20 | C7 | O22 | 174.8° | 179.6° |
| N20 | C16 | C10 | H1 | 142.7° | 143.5° |
| N20 | C16 | C10 | H2 | 96.7° | 92.7° |
| N20 | C16 | C19 | H22 | 71.9° | 51.0° |
| N20 | C16 | C19 | H23 | 47.6° | 170.9° |
| C16 | C19 | C17 | H22 | 120.3° | 120.0° |
| C16 | C19 | C17 | H23 | 120.3° | 120.0° |
| C16 | C19 | C17 | C8 | 171.1° | 180.0° |
| C19 | C16 | N20 | C7 | 134.4° | 136.3° |
| C19 | C16 | C10 | H1 | 96.0° | 97.5° |
| C19 | C16 | C10 | H2 | 24.6° | 26.3° |
| C16 | C19 | C17 | H6 | 51.0° | 60.0° |
| C16 | C19 | C17 | H7 | 68.7° | 60.0° |
| C16 | C19 | H22 | H23 | 119.2° | 120.0° |
| C19 | C16 | N20 | H24 | 45.6° | 43.7° |
| C19 | C17 | C8 | H6 | 120.1° | 120.0° |
| C19 | C17 | C8 | H7 | 120.1° | 120.0° |
| C19 | C17 | C8 | N21 | 141.2° | 180.0° |
| C19 | C17 | C8 | O23 | 42.9° | 0.1° |
| C19 | C17 | H6 | H7 | 119.6° | 120.0° |
| C17 | C19 | C16 | H19 | 45.6° | 53.0° |
| C17 | C19 | H22 | H23 | 119.2° | 120.0° |
| C17 | C8 | N21 | O23 | 176.2° | 179.9° |
| C17 | C8 | N21 | C14 | 179.2° | 0.1° |
| C8 | C17 | H6 | H7 | 119.6° | 120.0° |
| C8 | C17 | C19 | H22 | 68.6° | 60.0° |
| C8 | C17 | C19 | H23 | 50.9° | 59.9° |
| C8 | N21 | C14 | C12 | 149.5° | 126.4° |
| C8 | N21 | C13 | H3 | 26.9° | 6.7° |
| C8 | N21 | C13 | H4 | 93.3° | 113.6° |
| N21 | C8 | C17 | H6 | 21.1° | 60.1° |
| N21 | C8 | C17 | H7 | 98.6° | 59.9° |
| C8 | N21 | C14 | H17 | 29.0° | 113.8° |
| C8 | N21 | C14 | H18 | 89.9° | 6.6° |
| N21 | C14 | C12 | H17 | 120.5° | 119.9° |
| N21 | C14 | C12 | H18 | 120.6° | 119.9° |
| C14 | N21 | C8 | O23 | 4.7° | 180.0° |
| C14 | N21 | C13 | H3 | 168.5° | 173.4° |
| C14 | N21 | C13 | H4 | 71.3° | 66.3° |
| N21 | C14 | C12 | H15 | 164.0° | 174.6° |
| N21 | C14 | C12 | H16 | 77.0° | 65.3° |
| N21 | C14 | H17 | H18 | 118.4° | 120.5° |
| N20 | C7 | C9 | H11 | 136.5° | 102.4° |
| N20 | C7 | C9 | H12 | 100.9° | 134.9° |
| C7 | N20 | C16 | H19 | 104.3° | 101.6° |
| O22 | C7 | C9 | H11 | 42.2° | 77.8° |
| O22 | C7 | C9 | H12 | 80.4° | 44.8° |
| O22 | C7 | N20 | H24 | 5.2° | 0.4° |
| C14 | C12 | C15 | H5 | 73.9° | 58.7° |
| C14 | C12 | H15 | H16 | 118.5° | 120.1° |
| C12 | C14 | H17 | H18 | 118.3° | 120.2° |
| O23 | C8 | C17 | H6 | 163.0° | 120.0° |
| O23 | C8 | C17 | H7 | 77.3° | 119.9° |
| H1 | C10 | C9 | H11 | 97.0° | 24.3° |
| H1 | C10 | C9 | H12 | 25.6° | 98.3° |
| H1 | C10 | C16 | H19 | 25.7° | 24.5° |
| H2 | C10 | C9 | H11 | 23.6° | 148.1° |
| H2 | C10 | C9 | H12 | 146.2° | 25.5° |
| H2 | C10 | C16 | H19 | 146.3° | 148.3° |
| H3 | C13 | C11 | H13 | 67.2° | 65.6° |
| H3 | C13 | C11 | H14 | 51.9° | 54.5° |
| H4 | C13 | C11 | H13 | 52.9° | 54.7° |
| H4 | C13 | C11 | H14 | 172.0° | 174.8° |
| H5 | C15 | C11 | H13 | 52.0° | 61.3° |
| H5 | C15 | C11 | H14 | 171.1° | 178.6° |
| H5 | C15 | C12 | H15 | 46.6° | 61.3° |
| H5 | C15 | C12 | H16 | 165.6° | 178.6° |
| H5 | C15 | C18 | H20 | 170.2° | 175.0° |
| H5 | C15 | C18 | H21 | 68.4° | 64.9° |
| H6 | C17 | C19 | H22 | 171.2° | 180.0° |
| H6 | C17 | C19 | H23 | 69.3° | 60.0° |
| H7 | C17 | C19 | H22 | 51.5° | 60.0° |
| H7 | C17 | C19 | H23 | 171.0° | 180.0° |
| H8 | C1 | C2 | H9 | 0.0° | 0.0° |
| H15 | C12 | C14 | H17 | 75.5° | 54.8° |
| H15 | C12 | C14 | H18 | 43.4° | 65.5° |
| H16 | C12 | C14 | H17 | 43.5° | 174.9° |
| H16 | C12 | C14 | H18 | 162.4° | 54.7° |
| H19 | C16 | C19 | H22 | 165.9° | 173.0° |
| H19 | C16 | C19 | H23 | 74.6° | 67.0° |
| H19 | C16 | N20 | H24 | 75.7° | 78.4° |
