XL7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL3 | C19 | sing | 1.74Å | 1.74Å | |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| F1 | C17 | sing | 1.35Å | 1.36Å | |
| C19 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| CL1 | C2 | sing | 1.74Å | 1.73Å | |
| O1 | C7 | sing | 1.43Å | 1.43Å | |
| O1 | C1 | sing | 1.36Å | 1.36Å | |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | N3 | sing | 1.40Å | 1.42Å | |
| C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
| N1 | C11 | doub | 1.32Å | 1.33Å | Aromatic |
| N1 | C12 | sing | 1.32Å | 1.35Å | Aromatic |
| N3 | C12 | sing | 1.39Å | 1.36Å | |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C9 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | O3 | sing | 1.43Å | 1.44Å | |
| C11 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | N2 | doub | 1.32Å | 1.35Å | Aromatic |
| C15 | N4 | sing | 1.40Å | 1.41Å | |
| C10 | O3 | sing | 1.36Å | 1.38Å | |
| C10 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| N2 | C13 | sing | 1.32Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | CL2 | sing | 1.74Å | 1.73Å | |
| C5 | O2 | sing | 1.36Å | 1.37Å | |
| C8 | O2 | sing | 1.43Å | 1.43Å | |
| N4 | C20 | sing | 1.35Å | 1.35Å | |
| O4 | C20 | doub | 1.21Å | 1.24Å | |
| C20 | C21 | sing | 1.51Å | 1.48Å | |
| C21 | C22 | sing | 1.53Å | 1.49Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| N4 | H15 | sing | 0.97Å | 1.00Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL3 | C19 | C18 | 118.9° | 120.0° |
| CL3 | C19 | C14 | 120.6° | 120.0° |
| C19 | C18 | C17 | 118.4° | 120.2° |
| C18 | C19 | C14 | 120.5° | 120.0° |
| C19 | C18 | H14 | 120.8° | 119.9° |
| C18 | C17 | F1 | 119.0° | 119.9° |
| C18 | C17 | C16 | 122.8° | 120.1° |
| C17 | C18 | H14 | 120.8° | 119.9° |
| F1 | C17 | C16 | 118.2° | 119.9° |
| C19 | C14 | N3 | 121.1° | 120.0° |
| C19 | C14 | C15 | 120.3° | 119.9° |
| CL1 | C2 | C1 | 119.7° | 120.0° |
| CL1 | C2 | C3 | 118.5° | 120.0° |
| C7 | O1 | C1 | 119.1° | 117.0° |
| O1 | C7 | H2 | 109.5° | 109.5° |
| O1 | C7 | H3 | 109.4° | 109.5° |
| O1 | C7 | H4 | 109.5° | 109.5° |
| O1 | C1 | C2 | 118.8° | 120.0° |
| O1 | C1 | C6 | 121.8° | 120.0° |
| C17 | C16 | C15 | 119.1° | 120.0° |
| C17 | C16 | H13 | 120.5° | 120.0° |
| C1 | C2 | C3 | 121.8° | 120.0° |
| C2 | C1 | C6 | 119.3° | 119.9° |
| C2 | C3 | C9 | 120.9° | 119.9° |
| C2 | C3 | C4 | 117.3° | 120.1° |
| C1 | C6 | C5 | 119.9° | 119.9° |
| C1 | C6 | H1 | 120.0° | 120.0° |
| N3 | C14 | C15 | 118.5° | 120.1° |
| C14 | N3 | C12 | 128.4° | 120.0° |
| C14 | N3 | H12 | 115.8° | 120.0° |
| C14 | C15 | C16 | 118.9° | 119.8° |
| C14 | C15 | N4 | 118.4° | 120.1° |
| C16 | C15 | N4 | 122.7° | 120.1° |
| C15 | C16 | H13 | 120.5° | 120.0° |
| C11 | N1 | C12 | 116.8° | 120.7° |
| N1 | C11 | C10 | 121.3° | 119.2° |
| N1 | C11 | H10 | 119.4° | 120.4° |
| N1 | C12 | N3 | 118.0° | 119.1° |
| N1 | C12 | N2 | 125.3° | 121.7° |
| N3 | C12 | N2 | 116.6° | 119.2° |
| C12 | N3 | H12 | 115.8° | 120.0° |
| C6 | C5 | C4 | 119.7° | 120.0° |
| C6 | C5 | O2 | 123.9° | 120.0° |
| C5 | C6 | H1 | 120.0° | 120.1° |
| C9 | C3 | C4 | 121.7° | 120.0° |
| C3 | C9 | O3 | 107.9° | 109.5° |
| C3 | C9 | H8 | 109.9° | 109.5° |
| C3 | C9 | H9 | 109.9° | 109.5° |
| C3 | C4 | C5 | 121.7° | 120.0° |
| C3 | C4 | CL2 | 119.9° | 120.0° |
| C9 | O3 | C10 | 120.0° | 117.0° |
| O3 | C9 | H8 | 109.9° | 109.5° |
| O3 | C9 | H9 | 109.8° | 109.4° |
| C11 | C10 | O3 | 124.2° | 120.8° |
| C11 | C10 | C13 | 118.4° | 118.4° |
| C10 | C11 | H10 | 119.4° | 120.4° |
| C12 | N2 | C13 | 116.8° | 120.8° |
| C15 | N4 | C20 | 128.1° | 120.0° |
| C15 | N4 | H15 | 116.0° | 120.0° |
| O3 | C10 | C13 | 117.5° | 120.8° |
| C10 | C13 | N2 | 121.5° | 119.1° |
| C10 | C13 | H11 | 119.3° | 120.4° |
| N2 | C13 | H11 | 119.3° | 120.5° |
| C5 | C4 | CL2 | 118.4° | 120.0° |
| C4 | C5 | O2 | 116.3° | 120.0° |
| C5 | O2 | C8 | 118.0° | 117.0° |
| O2 | C8 | H5 | 109.5° | 109.4° |
| O2 | C8 | H6 | 109.5° | 109.5° |
| O2 | C8 | H7 | 109.5° | 109.4° |
| N4 | C20 | O4 | 122.6° | 120.1° |
| N4 | C20 | C21 | 114.8° | 120.0° |
| C20 | N4 | H15 | 115.9° | 120.1° |
| O4 | C20 | C21 | 122.6° | 120.0° |
| C20 | C21 | C22 | 121.8° | 109.5° |
| C20 | C21 | H16 | 106.3° | 109.5° |
| C20 | C21 | H17 | 106.3° | 109.5° |
| C22 | C21 | H16 | 106.3° | 109.5° |
| C22 | C21 | H17 | 106.3° | 109.5° |
| C21 | C22 | H18 | 109.5° | 109.4° |
| C21 | C22 | H19 | 109.4° | 109.5° |
| C21 | C22 | H20 | 109.5° | 109.4° |
| H2 | C7 | H3 | 109.5° | 109.4° |
| H2 | C7 | H4 | 109.5° | 109.6° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H5 | C8 | H7 | 109.5° | 109.5° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H8 | C9 | H9 | 109.5° | 109.5° |
| H16 | C21 | H17 | 109.4° | 109.4° |
| H18 | C22 | H19 | 109.4° | 109.5° |
| H18 | C22 | H20 | 109.5° | 109.5° |
| H19 | C22 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL3 | C19 | C18 | C14 | 178.9° | 179.4° |
| CL3 | C19 | C18 | C17 | 178.7° | 180.0° |
| CL3 | C19 | C14 | N3 | 1.9° | 0.3° |
| CL3 | C19 | C14 | C15 | 177.9° | 180.0° |
| CL3 | C19 | C18 | H14 | 1.3° | 0.6° |
| C19 | C18 | C17 | H14 | 180.0° | 179.4° |
| C19 | C18 | C17 | F1 | 179.6° | 179.7° |
| C19 | C18 | C17 | C16 | 0.2° | 0.3° |
| C18 | C19 | C14 | N3 | 179.1° | 179.8° |
| C18 | C19 | C14 | C15 | 1.0° | 0.5° |
| C18 | C17 | F1 | C16 | 179.8° | 180.0° |
| C17 | C18 | C19 | C14 | 0.3° | 0.5° |
| C18 | C17 | C16 | C15 | 0.9° | 0.0° |
| C18 | C17 | C16 | H13 | 179.1° | 179.9° |
| F1 | C17 | C16 | C15 | 178.9° | 180.0° |
| F1 | C17 | C16 | H13 | 1.1° | 0.1° |
| F1 | C17 | C18 | H14 | 0.4° | 0.3° |
| C19 | C14 | N3 | C15 | 179.9° | 179.7° |
| C19 | C14 | C15 | C16 | 1.6° | 0.3° |
| C19 | C14 | N3 | C12 | 65.8° | 68.7° |
| C19 | C14 | C15 | N4 | 179.4° | 179.8° |
| C19 | C14 | N3 | H12 | 114.2° | 111.3° |
| C14 | C19 | C18 | H14 | 179.7° | 180.0° |
| CL1 | C2 | C1 | O1 | 0.7° | 0.2° |
| CL1 | C2 | C1 | C3 | 179.2° | 180.0° |
| CL1 | C2 | C1 | C6 | 176.7° | 180.0° |
| CL1 | C2 | C3 | C9 | 3.5° | 0.0° |
| CL1 | C2 | C3 | C4 | 179.6° | 180.0° |
| C7 | O1 | C1 | C2 | 141.3° | 179.7° |
| C7 | O1 | C1 | C6 | 42.7° | 0.1° |
| O1 | C7 | H2 | H3 | 120.0° | 119.9° |
| O1 | C7 | H2 | H4 | 120.0° | 120.1° |
| O1 | C7 | H3 | H4 | 120.0° | 120.0° |
| O1 | C1 | C2 | C6 | 176.1° | 179.8° |
| O1 | C1 | C2 | C3 | 178.6° | 179.8° |
| O1 | C1 | C6 | C5 | 179.9° | 179.8° |
| O1 | C1 | C6 | H1 | 0.1° | 0.2° |
| C1 | O1 | C7 | H2 | 180.0° | 60.0° |
| C1 | O1 | C7 | H3 | 60.0° | 59.9° |
| C1 | O1 | C7 | H4 | 60.0° | 179.9° |
| C17 | C16 | C15 | C14 | 1.6° | 0.0° |
| C17 | C16 | C15 | H13 | 180.0° | 179.9° |
| C17 | C16 | C15 | N4 | 179.2° | 180.0° |
| C16 | C17 | C18 | H14 | 179.8° | 179.7° |
| C2 | C1 | C6 | C5 | 4.0° | 0.0° |
| C1 | C2 | C3 | C9 | 177.3° | 180.0° |
| C1 | C2 | C3 | C4 | 0.4° | 0.0° |
| C2 | C1 | C6 | H1 | 176.1° | 180.0° |
| C3 | C2 | C1 | C6 | 2.5° | 0.0° |
| C2 | C3 | C9 | C4 | 176.7° | 180.0° |
| C2 | C3 | C9 | O3 | 70.6° | 90.0° |
| C2 | C3 | C4 | C5 | 1.7° | 0.0° |
| C2 | C3 | C4 | CL2 | 177.2° | 180.0° |
| C2 | C3 | C9 | H8 | 49.2° | 150.0° |
| C2 | C3 | C9 | H9 | 169.6° | 30.0° |
| C1 | C6 | C5 | H1 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 2.7° | 0.0° |
| C1 | C6 | C5 | O2 | 176.8° | 180.0° |
| N3 | C14 | C15 | C16 | 178.5° | 180.0° |
| C14 | N3 | C12 | N1 | 0.3° | 176.0° |
| C14 | N3 | C12 | H12 | 180.0° | 180.0° |
| C14 | N3 | C12 | N2 | 177.9° | 3.9° |
| N3 | C14 | C15 | N4 | 0.7° | 0.1° |
| C14 | C15 | C16 | N4 | 177.7° | 180.0° |
| C15 | C14 | N3 | C12 | 114.3° | 111.6° |
| C14 | C15 | N4 | C20 | 152.5° | 160.2° |
| C15 | C14 | N3 | H12 | 65.7° | 68.4° |
| C14 | C15 | C16 | H13 | 178.4° | 179.9° |
| C14 | C15 | N4 | H15 | 27.5° | 19.8° |
| C16 | C15 | N4 | C20 | 25.2° | 19.8° |
| C16 | C15 | N4 | H15 | 154.8° | 160.2° |
| C11 | N1 | C12 | N3 | 177.6° | 180.0° |
| N1 | C11 | C10 | H10 | 180.0° | 180.0° |
| C11 | N1 | C12 | N2 | 0.4° | 0.0° |
| N1 | C11 | C10 | O3 | 179.9° | 180.0° |
| N1 | C11 | C10 | C13 | 0.1° | 0.3° |
| N1 | C12 | N3 | N2 | 178.1° | 180.0° |
| C12 | N1 | C11 | C10 | 0.3° | 0.0° |
| N1 | C12 | N2 | C13 | 0.4° | 0.3° |
| C12 | N1 | C11 | H10 | 179.7° | 180.0° |
| N1 | C12 | N3 | H12 | 179.7° | 4.0° |
| N3 | C12 | N2 | C13 | 177.6° | 179.7° |
| C6 | C5 | C4 | C3 | 0.3° | 0.0° |
| C6 | C5 | C4 | O2 | 179.5° | 180.0° |
| C6 | C5 | C4 | CL2 | 178.7° | 180.0° |
| C6 | C5 | O2 | C8 | 3.8° | 0.0° |
| C3 | C9 | O3 | H8 | 119.8° | 120.0° |
| C3 | C9 | O3 | H9 | 119.8° | 120.0° |
| C3 | C9 | O3 | C10 | 157.8° | 180.0° |
| C9 | C3 | C4 | C5 | 178.6° | 180.0° |
| C9 | C3 | C4 | CL2 | 0.4° | 0.0° |
| C3 | C9 | H8 | H9 | 120.7° | 120.0° |
| C4 | C3 | C9 | O3 | 106.1° | 90.0° |
| C3 | C4 | C5 | CL2 | 179.0° | 180.0° |
| C3 | C4 | C5 | O2 | 179.7° | 180.0° |
| C4 | C3 | C9 | H8 | 134.1° | 30.0° |
| C4 | C3 | C9 | H9 | 13.6° | 150.0° |
| C9 | O3 | C10 | C11 | 27.0° | 0.3° |
| C9 | O3 | C10 | C13 | 152.8° | 180.0° |
| O3 | C9 | H8 | H9 | 120.7° | 120.0° |
| C11 | C10 | O3 | C13 | 179.8° | 179.7° |
| C11 | C10 | C13 | N2 | 0.1° | 0.5° |
| C11 | C10 | C13 | H11 | 179.9° | 179.7° |
| C12 | N2 | C13 | C10 | 0.2° | 0.6° |
| C12 | N2 | C13 | H11 | 179.8° | 179.7° |
| N2 | C12 | N3 | H12 | 2.1° | 176.1° |
| C15 | N4 | C20 | H15 | 180.0° | 180.0° |
| C15 | N4 | C20 | O4 | 0.1° | 5.2° |
| C15 | N4 | C20 | C21 | 179.8° | 174.8° |
| N4 | C15 | C16 | H13 | 0.8° | 0.0° |
| O3 | C10 | C13 | N2 | 179.9° | 179.8° |
| C10 | O3 | C9 | H8 | 38.1° | 60.0° |
| C10 | O3 | C9 | H9 | 82.4° | 60.0° |
| O3 | C10 | C11 | H10 | 0.1° | 0.1° |
| O3 | C10 | C13 | H11 | 0.1° | 0.0° |
| C10 | C13 | N2 | H11 | 180.0° | 179.7° |
| C13 | C10 | C11 | H10 | 179.9° | 179.8° |
| C4 | C5 | O2 | C8 | 176.7° | 180.0° |
| C4 | C5 | C6 | H1 | 177.4° | 180.0° |
| CL2 | C4 | C5 | O2 | 0.7° | 0.1° |
| O2 | C5 | C6 | H1 | 3.2° | 0.0° |
| C5 | O2 | C8 | H5 | 180.0° | 60.1° |
| C5 | O2 | C8 | H6 | 60.0° | 60.0° |
| C5 | O2 | C8 | H7 | 60.0° | 180.0° |
| O2 | C8 | H5 | H6 | 120.0° | 120.1° |
| O2 | C8 | H5 | H7 | 120.0° | 119.9° |
| O2 | C8 | H6 | H7 | 120.0° | 120.0° |
| N4 | C20 | O4 | C21 | 179.9° | 180.0° |
| N4 | C20 | C21 | C22 | 40.4° | 180.0° |
| N4 | C20 | C21 | H16 | 81.3° | 60.0° |
| N4 | C20 | C21 | H17 | 162.1° | 60.0° |
| O4 | C20 | C21 | C22 | 139.5° | 0.0° |
| O4 | C20 | N4 | H15 | 179.9° | 174.9° |
| O4 | C20 | C21 | H16 | 98.8° | 120.0° |
| O4 | C20 | C21 | H17 | 17.8° | 120.0° |
| C20 | C21 | C22 | H16 | 121.7° | 120.0° |
| C20 | C21 | C22 | H17 | 121.7° | 120.0° |
| C21 | C20 | N4 | H15 | 0.2° | 5.1° |
| C20 | C21 | H16 | H17 | 114.5° | 120.0° |
| C20 | C21 | C22 | H18 | 180.0° | 60.0° |
| C20 | C21 | C22 | H19 | 60.0° | 60.0° |
| C20 | C21 | C22 | H20 | 60.0° | 180.0° |
| C22 | C21 | H16 | H17 | 114.4° | 120.0° |
| C21 | C22 | H18 | H19 | 120.0° | 120.0° |
| C21 | C22 | H18 | H20 | 120.0° | 120.0° |
| C21 | C22 | H19 | H20 | 120.0° | 120.0° |
| H2 | C7 | H3 | H4 | 120.0° | 120.1° |
| H5 | C8 | H6 | H7 | 120.0° | 120.0° |
| H16 | C21 | C22 | H18 | 58.3° | 180.0° |
| H16 | C21 | C22 | H19 | 178.3° | 60.0° |
| H16 | C21 | C22 | H20 | 61.7° | 60.0° |
| H17 | C21 | C22 | H18 | 58.2° | 60.0° |
| H17 | C21 | C22 | H19 | 61.7° | 180.0° |
| H17 | C21 | C22 | H20 | 178.3° | 60.0° |
| H18 | C22 | H19 | H20 | 120.0° | 120.1° |
