XZ7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O28 | C27 | doub | 1.21Å | 1.24Å | |
| O29 | C27 | sing | 1.34Å | 1.23Å | |
| C27 | C26 | sing | 1.51Å | 1.46Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | C2 | sing | 1.51Å | 1.55Å | |
| C25 | C30 | sing | 1.53Å | 1.61Å | |
| C2 | C1 | doub | 1.38Å | 1.36Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| F15 | C13 | sing | 1.40Å | 1.28Å | |
| F16 | C13 | sing | 1.40Å | 1.33Å | |
| C3 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C32 | sing | 1.53Å | 1.54Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| F14 | C13 | sing | 1.40Å | 1.31Å | |
| C13 | C11 | sing | 1.53Å | 1.55Å | |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | N8 | sing | 1.40Å | 1.33Å | |
| C5 | CL7 | sing | 1.74Å | 1.73Å | |
| N8 | C9 | sing | 1.35Å | 1.29Å | |
| C9 | O24 | doub | 1.21Å | 1.22Å | |
| C9 | C10 | sing | 1.51Å | 1.54Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.46Å | |
| C10 | C17 | sing | 1.51Å | 1.46Å | |
| C17 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C17 | C22 | sing | 1.38Å | 1.34Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.34Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | CL23 | sing | 1.74Å | 1.71Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C22 | H4 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C31 | H7 | sing | 1.09Å | 1.10Å | |
| C31 | H8 | sing | 1.09Å | 1.10Å | |
| C32 | H9 | sing | 1.09Å | 1.10Å | |
| C32 | H10 | sing | 1.09Å | 1.10Å | |
| C30 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| O29 | H13 | sing | 0.97Å | 0.95Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å | |
| C1 | H15 | sing | 1.08Å | 1.08Å | |
| N8 | H16 | sing | 0.97Å | 1.00Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å | |
| C19 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O28 | C27 | O29 | 128.0° | 120.0° |
| O28 | C27 | C26 | 116.2° | 120.0° |
| O29 | C27 | C26 | 115.5° | 120.0° |
| C27 | O29 | H13 | 109.5° | 117.0° |
| C27 | C26 | C25 | 124.6° | 109.5° |
| C27 | C26 | H5 | 105.6° | 109.5° |
| C27 | C26 | H6 | 105.6° | 109.5° |
| C26 | C25 | C2 | 121.9° | 109.4° |
| C26 | C25 | C30 | 107.7° | 109.5° |
| C25 | C26 | H5 | 105.6° | 109.5° |
| C25 | C26 | H6 | 105.6° | 109.5° |
| C26 | C25 | H12 | 109.7° | 109.5° |
| C2 | C25 | C30 | 98.1° | 109.5° |
| C25 | C2 | C1 | 122.0° | 120.0° |
| C25 | C2 | C3 | 119.4° | 119.9° |
| C2 | C25 | H12 | 109.5° | 109.5° |
| C25 | C30 | C32 | 121.9° | 117.5° |
| C25 | C30 | C31 | 117.4° | 117.5° |
| C25 | C30 | H11 | 114.8° | 115.6° |
| C30 | C25 | H12 | 108.7° | 109.5° |
| C1 | C2 | C3 | 117.8° | 120.1° |
| C2 | C1 | C6 | 122.6° | 120.2° |
| C2 | C1 | H15 | 118.7° | 119.9° |
| C2 | C3 | C4 | 121.8° | 119.9° |
| C2 | C3 | H14 | 119.1° | 120.0° |
| C1 | C6 | C5 | 118.3° | 120.1° |
| C1 | C6 | H1 | 120.9° | 120.0° |
| C6 | C1 | H15 | 118.7° | 119.9° |
| F15 | C13 | F16 | 103.5° | 109.5° |
| F15 | C13 | F14 | 103.4° | 109.5° |
| F15 | C13 | C11 | 114.4° | 109.5° |
| F16 | C13 | F14 | 115.7° | 109.5° |
| F16 | C13 | C11 | 108.8° | 109.5° |
| C3 | C4 | C5 | 120.0° | 119.9° |
| C3 | C4 | N8 | 119.5° | 120.1° |
| C4 | C3 | H14 | 119.1° | 120.0° |
| C6 | C5 | C4 | 119.0° | 119.9° |
| C6 | C5 | CL7 | 115.9° | 120.1° |
| C5 | C6 | H1 | 120.9° | 120.0° |
| C32 | C30 | C31 | 59.3° | 60.0° |
| C30 | C32 | C31 | 60.0° | 60.0° |
| C30 | C32 | H9 | 120.0° | 117.5° |
| C30 | C32 | H10 | 120.0° | 117.6° |
| C32 | C30 | H11 | 116.1° | 117.5° |
| C30 | C31 | C32 | 60.7° | 60.0° |
| C30 | C31 | H7 | 119.9° | 117.5° |
| C30 | C31 | H8 | 119.9° | 117.5° |
| C31 | C30 | H11 | 116.2° | 117.5° |
| F14 | C13 | C11 | 110.9° | 109.4° |
| C13 | C11 | C10 | 108.0° | 109.4° |
| C13 | C11 | C12 | 111.6° | 109.5° |
| C13 | C11 | H17 | 108.2° | 109.5° |
| C32 | C31 | H7 | 119.9° | 117.5° |
| C32 | C31 | H8 | 119.9° | 117.5° |
| C31 | C32 | H9 | 120.0° | 117.5° |
| C31 | C32 | H10 | 120.0° | 117.5° |
| C5 | C4 | N8 | 120.3° | 120.0° |
| C4 | C5 | CL7 | 124.8° | 120.0° |
| C4 | N8 | C9 | 125.3° | 120.0° |
| C4 | N8 | H16 | 117.3° | 120.0° |
| N8 | C9 | O24 | 124.1° | 120.0° |
| N8 | C9 | C10 | 116.7° | 120.0° |
| C9 | N8 | H16 | 117.3° | 120.0° |
| O24 | C9 | C10 | 119.2° | 120.1° |
| C9 | C10 | C11 | 110.6° | 109.5° |
| C9 | C10 | C17 | 103.0° | 109.4° |
| C9 | C10 | H2 | 109.8° | 109.5° |
| C10 | C11 | C12 | 111.1° | 109.5° |
| C11 | C10 | C17 | 112.5° | 109.4° |
| C11 | C10 | H2 | 110.0° | 109.5° |
| C10 | C11 | H17 | 108.4° | 109.4° |
| C12 | C11 | H17 | 109.4° | 109.4° |
| C11 | C12 | H18 | 109.5° | 109.5° |
| C11 | C12 | H19 | 109.5° | 109.5° |
| C11 | C12 | H20 | 109.5° | 109.5° |
| C10 | C17 | C18 | 117.1° | 120.0° |
| C10 | C17 | C22 | 121.4° | 120.0° |
| C17 | C10 | H2 | 110.8° | 109.5° |
| C18 | C17 | C22 | 121.4° | 120.0° |
| C17 | C18 | C19 | 118.1° | 120.0° |
| C17 | C18 | H21 | 120.9° | 120.0° |
| C17 | C22 | C21 | 122.3° | 120.0° |
| C17 | C22 | H4 | 118.8° | 120.0° |
| C18 | C19 | C20 | 118.8° | 120.0° |
| C19 | C18 | H21 | 120.9° | 120.0° |
| C18 | C19 | H22 | 120.6° | 120.0° |
| C22 | C21 | C20 | 116.7° | 120.0° |
| C22 | C21 | H3 | 121.6° | 120.1° |
| C21 | C22 | H4 | 118.9° | 119.9° |
| C19 | C20 | C21 | 122.4° | 120.0° |
| C19 | C20 | CL23 | 118.4° | 120.0° |
| C20 | C19 | H22 | 120.6° | 120.0° |
| C21 | C20 | CL23 | 119.2° | 120.0° |
| C20 | C21 | H3 | 121.6° | 119.9° |
| H5 | C26 | H6 | 109.5° | 109.5° |
| H7 | C31 | H8 | 109.5° | 115.6° |
| H9 | C32 | H10 | 109.5° | 115.5° |
| H18 | C12 | H19 | 109.4° | 109.5° |
| H18 | C12 | H20 | 109.5° | 109.4° |
| H19 | C12 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O28 | C27 | O29 | C26 | 172.9° | 179.9° |
| O28 | C27 | C26 | C25 | 91.8° | 1.9° |
| O28 | C27 | C26 | H5 | 30.3° | 118.1° |
| O28 | C27 | C26 | H6 | 146.2° | 121.9° |
| O28 | C27 | O29 | H13 | 0.0° | 0.0° |
| O29 | C27 | C26 | C25 | 94.4° | 178.1° |
| O29 | C27 | C26 | H5 | 143.5° | 61.9° |
| O29 | C27 | C26 | H6 | 27.6° | 58.1° |
| C27 | C26 | C25 | H5 | 122.0° | 120.0° |
| C27 | C26 | C25 | H6 | 122.0° | 120.0° |
| C27 | C26 | C25 | C2 | 26.4° | 66.7° |
| C27 | C26 | C25 | C30 | 138.4° | 173.3° |
| C27 | C26 | H5 | H6 | 113.2° | 120.0° |
| C27 | C26 | C25 | H12 | 103.4° | 53.3° |
| C26 | C27 | O29 | H13 | 172.9° | 180.0° |
| C26 | C25 | C2 | C30 | 116.8° | 120.0° |
| C26 | C25 | C2 | H12 | 130.0° | 120.0° |
| C26 | C25 | C30 | H12 | 118.8° | 120.0° |
| C26 | C25 | C2 | C1 | 55.5° | 60.0° |
| C26 | C25 | C2 | C3 | 135.4° | 119.2° |
| C26 | C25 | C30 | C32 | 80.4° | 58.2° |
| C26 | C25 | C30 | C31 | 149.6° | 126.8° |
| C25 | C26 | H5 | H6 | 113.2° | 120.0° |
| C26 | C25 | C30 | H11 | 68.5° | 87.5° |
| C2 | C25 | C30 | H12 | 113.9° | 120.1° |
| C25 | C2 | C1 | C3 | 169.3° | 179.2° |
| C25 | C2 | C1 | C6 | 176.6° | 180.0° |
| C25 | C2 | C3 | C4 | 170.2° | 179.8° |
| C2 | C25 | C30 | C32 | 152.3° | 178.2° |
| C2 | C25 | C30 | C31 | 83.1° | 113.2° |
| C2 | C25 | C26 | H5 | 148.5° | 53.3° |
| C2 | C25 | C26 | H6 | 95.6° | 173.3° |
| C2 | C25 | C30 | H11 | 58.8° | 32.5° |
| C25 | C2 | C3 | H14 | 9.8° | 0.7° |
| C25 | C2 | C1 | H15 | 3.3° | 0.7° |
| C30 | C25 | C2 | C1 | 61.3° | 59.9° |
| C30 | C25 | C2 | C3 | 107.8° | 120.8° |
| C25 | C30 | C32 | C31 | 105.1° | 107.5° |
| C25 | C30 | C32 | H11 | 148.5° | 145.0° |
| C25 | C30 | C31 | H11 | 141.3° | 145.1° |
| C30 | C25 | C26 | H5 | 99.6° | 66.7° |
| C30 | C25 | C26 | H6 | 16.3° | 53.3° |
| C25 | C30 | C31 | H7 | 137.8° | 0.0° |
| C25 | C30 | C31 | H8 | 2.9° | 145.0° |
| C25 | C30 | C32 | H9 | 4.4° | 145.1° |
| C25 | C30 | C32 | H10 | 145.5° | 0.0° |
| C2 | C1 | C6 | H15 | 180.0° | 179.2° |
| C1 | C2 | C3 | C4 | 0.6° | 0.5° |
| C2 | C1 | C6 | C5 | 9.7° | 0.5° |
| C2 | C1 | C6 | H1 | 170.3° | 179.5° |
| C1 | C2 | C25 | H12 | 174.6° | 180.0° |
| C1 | C2 | C3 | H14 | 179.4° | 180.0° |
| C3 | C2 | C1 | C6 | 7.3° | 0.8° |
| C2 | C3 | C4 | H14 | 180.0° | 179.5° |
| C2 | C3 | C4 | C5 | 3.5° | 0.0° |
| C2 | C3 | C4 | N8 | 178.1° | 179.8° |
| C3 | C2 | C25 | H12 | 5.4° | 0.8° |
| C3 | C2 | C1 | H15 | 172.6° | 180.0° |
| C1 | C6 | C5 | H1 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 5.2° | 0.0° |
| C1 | C6 | C5 | CL7 | 179.3° | 180.0° |
| F15 | C13 | F16 | F14 | 112.4° | 120.0° |
| F15 | C13 | F16 | C11 | 122.1° | 120.0° |
| F15 | C13 | F14 | C11 | 123.0° | 120.0° |
| F15 | C13 | C11 | C10 | 50.1° | 66.6° |
| F15 | C13 | C11 | C12 | 72.4° | 53.4° |
| F15 | C13 | C11 | H17 | 167.3° | 173.4° |
| F16 | C13 | F14 | C11 | 124.5° | 120.0° |
| F16 | C13 | C11 | C10 | 65.1° | 53.4° |
| F16 | C13 | C11 | C12 | 172.4° | 173.4° |
| F16 | C13 | C11 | H17 | 52.1° | 66.6° |
| C3 | C4 | C5 | C6 | 1.1° | 0.3° |
| C3 | C4 | C5 | N8 | 174.5° | 179.7° |
| C3 | C4 | C5 | CL7 | 172.5° | 179.8° |
| C3 | C4 | N8 | C9 | 49.2° | 22.8° |
| C3 | C4 | N8 | H16 | 130.8° | 157.1° |
| C6 | C5 | C4 | CL7 | 173.6° | 180.0° |
| C6 | C5 | C4 | N8 | 175.6° | 180.0° |
| C5 | C6 | C1 | H15 | 170.3° | 179.8° |
| C32 | C30 | C31 | H11 | 106.1° | 107.5° |
| C30 | C32 | C31 | H9 | 109.5° | 107.5° |
| C30 | C32 | C31 | H10 | 109.5° | 107.6° |
| C32 | C30 | C31 | H7 | 109.6° | 107.5° |
| C32 | C30 | C31 | H8 | 109.7° | 107.5° |
| C30 | C32 | H9 | H10 | 144.7° | 145.8° |
| C32 | C30 | C25 | H12 | 38.5° | 61.8° |
| C30 | C31 | H7 | H8 | 144.4° | 145.7° |
| C31 | C30 | C25 | H12 | 30.8° | 6.8° |
| F14 | C13 | C11 | C10 | 166.5° | 173.4° |
| F14 | C13 | C11 | C12 | 44.1° | 66.6° |
| F14 | C13 | C11 | H17 | 76.3° | 53.4° |
| C13 | C11 | C10 | C9 | 69.8° | 175.1° |
| C13 | C11 | C10 | C12 | 122.7° | 120.0° |
| C13 | C11 | C10 | H17 | 117.0° | 120.0° |
| C13 | C11 | C12 | H17 | 119.7° | 120.1° |
| C13 | C11 | C10 | C17 | 175.6° | 64.9° |
| C13 | C11 | C10 | H2 | 51.6° | 55.1° |
| C13 | C11 | C12 | H18 | 180.0° | 68.1° |
| C13 | C11 | C12 | H19 | 60.0° | 171.8° |
| C13 | C11 | C12 | H20 | 60.0° | 51.8° |
| C32 | C31 | H7 | H8 | 144.4° | 145.7° |
| C31 | C32 | H9 | H10 | 144.7° | 145.6° |
| C5 | C4 | N8 | C9 | 136.2° | 157.4° |
| C4 | C5 | C6 | H1 | 174.8° | 180.0° |
| C5 | C4 | C3 | H14 | 176.5° | 179.5° |
| C5 | C4 | N8 | H16 | 43.8° | 22.7° |
| N8 | C4 | C5 | CL7 | 2.0° | 0.0° |
| C4 | N8 | C9 | H16 | 180.0° | 179.9° |
| C4 | N8 | C9 | O24 | 0.8° | 2.2° |
| C4 | N8 | C9 | C10 | 177.3° | 177.8° |
| N8 | C4 | C3 | H14 | 1.9° | 0.3° |
| CL7 | C5 | C6 | H1 | 0.7° | 0.0° |
| N8 | C9 | O24 | C10 | 178.1° | 180.0° |
| N8 | C9 | C10 | C11 | 135.1° | 64.9° |
| N8 | C9 | C10 | C17 | 104.5° | 175.2° |
| N8 | C9 | C10 | H2 | 13.6° | 55.2° |
| O24 | C9 | C10 | C11 | 46.7° | 115.1° |
| O24 | C9 | C10 | C17 | 73.7° | 4.8° |
| O24 | C9 | C10 | H2 | 168.2° | 124.8° |
| O24 | C9 | N8 | H16 | 179.2° | 177.7° |
| C9 | C10 | C11 | C17 | 114.5° | 119.9° |
| C9 | C10 | C11 | H2 | 121.4° | 120.0° |
| C9 | C10 | C11 | C12 | 167.4° | 64.8° |
| C9 | C10 | C17 | H2 | 117.3° | 120.0° |
| C9 | C10 | C17 | C18 | 106.5° | 128.6° |
| C9 | C10 | C17 | C22 | 77.5° | 51.1° |
| C10 | C9 | N8 | H16 | 2.7° | 2.3° |
| C9 | C10 | C11 | H17 | 47.2° | 55.1° |
| C10 | C11 | C12 | H17 | 119.7° | 119.9° |
| C11 | C10 | C17 | H2 | 123.6° | 120.1° |
| C11 | C10 | C17 | C18 | 134.3° | 111.4° |
| C11 | C10 | C17 | C22 | 41.6° | 68.9° |
| C10 | C11 | C12 | H18 | 59.4° | 171.9° |
| C10 | C11 | C12 | H19 | 60.6° | 51.8° |
| C10 | C11 | C12 | H20 | 179.4° | 68.2° |
| C12 | C11 | C10 | C17 | 52.9° | 55.1° |
| C12 | C11 | C10 | H2 | 71.1° | 175.1° |
| C11 | C12 | H18 | H19 | 120.0° | 120.1° |
| C11 | C12 | H18 | H20 | 120.0° | 120.0° |
| C11 | C12 | H19 | H20 | 120.0° | 120.0° |
| C10 | C17 | C18 | C22 | 176.0° | 179.7° |
| C10 | C17 | C18 | C19 | 176.5° | 180.0° |
| C10 | C17 | C22 | C21 | 179.4° | 180.0° |
| C10 | C17 | C22 | H4 | 0.6° | 0.1° |
| C17 | C10 | C11 | H17 | 67.4° | 175.1° |
| C10 | C17 | C18 | H21 | 3.4° | 0.1° |
| C17 | C18 | C19 | H21 | 180.0° | 179.9° |
| C18 | C17 | C22 | C21 | 3.6° | 0.3° |
| C17 | C18 | C19 | C20 | 3.2° | 0.1° |
| C18 | C17 | C10 | H2 | 10.8° | 8.6° |
| C18 | C17 | C22 | H4 | 176.4° | 179.8° |
| C17 | C18 | C19 | H22 | 176.8° | 180.0° |
| C22 | C17 | C18 | C19 | 0.5° | 0.2° |
| C17 | C22 | C21 | H4 | 180.0° | 179.9° |
| C17 | C22 | C21 | C20 | 2.5° | 0.1° |
| C22 | C17 | C10 | H2 | 165.2° | 171.1° |
| C17 | C22 | C21 | H3 | 177.5° | 179.9° |
| C22 | C17 | C18 | H21 | 179.4° | 179.7° |
| C18 | C19 | C20 | H22 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 4.3° | 0.3° |
| C18 | C19 | C20 | CL23 | 176.7° | 179.9° |
| C22 | C21 | C20 | C19 | 1.4° | 0.3° |
| C22 | C21 | C20 | H3 | 180.0° | 180.0° |
| C22 | C21 | C20 | CL23 | 179.5° | 180.0° |
| C19 | C20 | C21 | CL23 | 179.1° | 179.7° |
| C19 | C20 | C21 | H3 | 178.6° | 179.8° |
| C20 | C19 | C18 | H21 | 176.8° | 180.0° |
| C20 | C21 | C22 | H4 | 177.5° | 180.0° |
| C21 | C20 | C19 | H22 | 175.7° | 179.7° |
| CL23 | C20 | C21 | H3 | 0.5° | 0.0° |
| CL23 | C20 | C19 | H22 | 3.3° | 0.0° |
| H1 | C6 | C1 | H15 | 9.7° | 0.2° |
| H2 | C10 | C11 | H17 | 168.6° | 64.9° |
| H3 | C21 | C22 | H4 | 2.5° | 0.0° |
| H5 | C26 | C25 | H12 | 18.6° | 173.3° |
| H6 | C26 | C25 | H12 | 134.5° | 66.7° |
| H7 | C31 | C32 | H9 | 140.9° | 145.0° |
| H7 | C31 | C32 | H10 | 0.2° | 0.1° |
| H7 | C31 | C30 | H11 | 3.6° | 145.0° |
| H8 | C31 | C32 | H9 | 0.2° | 0.0° |
| H8 | C31 | C32 | H10 | 140.9° | 144.9° |
| H8 | C31 | C30 | H11 | 144.3° | 0.0° |
| H9 | C32 | C30 | H11 | 144.1° | 0.0° |
| H10 | C32 | C30 | H11 | 3.1° | 145.1° |
| H11 | C30 | C25 | H12 | 172.6° | 152.5° |
| H17 | C11 | C12 | H18 | 60.4° | 51.9° |
| H17 | C11 | C12 | H19 | 179.7° | 68.1° |
| H17 | C11 | C12 | H20 | 59.6° | 171.8° |
| H18 | C12 | H19 | H20 | 120.0° | 119.9° |
| H21 | C18 | C19 | H22 | 3.2° | 0.1° |
