VQ0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL2 | C10 | sing | 1.74Å | 1.74Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| O4 | C18 | doub | 1.22Å | 1.22Å | |
| C13 | O2 | sing | 1.43Å | 1.43Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C12 | O2 | sing | 1.36Å | 1.37Å | |
| C12 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.37Å | Aromatic |
| C18 | N3 | sing | 1.35Å | 1.37Å | |
| C18 | N2 | sing | 1.35Å | 1.38Å | |
| C7 | O1 | sing | 1.36Å | 1.40Å | |
| N3 | C17 | sing | 1.35Å | 1.38Å | |
| C14 | N2 | sing | 1.46Å | 1.47Å | |
| N2 | C15 | sing | 1.37Å | 1.37Å | |
| C17 | O3 | doub | 1.22Å | 1.24Å | |
| C17 | C16 | sing | 1.42Å | 1.39Å | |
| O1 | C6 | sing | 1.36Å | 1.39Å | |
| C15 | C16 | doub | 1.35Å | 1.37Å | |
| C16 | CL3 | sing | 1.74Å | 1.73Å | |
| C5 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| CL1 | C4 | sing | 1.74Å | 1.74Å | |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.43Å | 1.44Å | |
| C1 | N1 | trip | 1.14Å | 1.14Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N3 | H6 | sing | 0.97Å | 1.00Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL2 | C10 | C11 | 119.1° | 119.9° |
| CL2 | C10 | C9 | 119.4° | 119.9° |
| C11 | C10 | C9 | 121.5° | 120.1° |
| C10 | C11 | C12 | 119.0° | 120.0° |
| C10 | C11 | H1 | 120.5° | 120.0° |
| C10 | C9 | C8 | 119.4° | 120.1° |
| C10 | C9 | H2 | 120.3° | 119.9° |
| C11 | C12 | O2 | 123.2° | 120.0° |
| C11 | C12 | C7 | 119.7° | 119.9° |
| C12 | C11 | H1 | 120.5° | 120.0° |
| C9 | C8 | C7 | 119.7° | 120.0° |
| C8 | C9 | H2 | 120.3° | 119.9° |
| C9 | C8 | H3 | 120.1° | 120.0° |
| O4 | C18 | N3 | 122.0° | 119.5° |
| O4 | C18 | N2 | 122.5° | 119.5° |
| O2 | C13 | C14 | 105.6° | 109.5° |
| C13 | O2 | C12 | 117.8° | 117.0° |
| O2 | C13 | H7 | 110.4° | 109.4° |
| O2 | C13 | H8 | 110.4° | 109.5° |
| C13 | C14 | N2 | 110.9° | 109.5° |
| C14 | C13 | H7 | 110.4° | 109.5° |
| C14 | C13 | H8 | 110.4° | 109.5° |
| C13 | C14 | H10 | 109.1° | 109.5° |
| C13 | C14 | H11 | 109.1° | 109.5° |
| O2 | C12 | C7 | 117.1° | 120.1° |
| C12 | C7 | C8 | 120.5° | 119.9° |
| C12 | C7 | O1 | 115.5° | 120.1° |
| C8 | C7 | O1 | 123.7° | 120.0° |
| C7 | C8 | H3 | 120.2° | 120.0° |
| N3 | C18 | N2 | 115.5° | 121.0° |
| C18 | N3 | C17 | 124.9° | 120.3° |
| C18 | N3 | H6 | 117.5° | 119.9° |
| C18 | N2 | C14 | 117.7° | 119.7° |
| C18 | N2 | C15 | 121.9° | 120.6° |
| C7 | O1 | C6 | 123.0° | 118.0° |
| N3 | C17 | O3 | 118.6° | 120.3° |
| N3 | C17 | C16 | 117.0° | 119.4° |
| C17 | N3 | H6 | 117.5° | 119.9° |
| C14 | N2 | C15 | 120.4° | 119.7° |
| N2 | C14 | H10 | 109.1° | 109.4° |
| N2 | C14 | H11 | 109.1° | 109.5° |
| N2 | C15 | C16 | 120.9° | 119.7° |
| N2 | C15 | H9 | 119.5° | 120.2° |
| O3 | C17 | C16 | 124.4° | 120.3° |
| C17 | C16 | C15 | 119.7° | 119.1° |
| C17 | C16 | CL3 | 118.7° | 120.4° |
| O1 | C6 | C5 | 120.6° | 120.0° |
| O1 | C6 | C19 | 119.0° | 120.0° |
| C15 | C16 | CL3 | 121.6° | 120.5° |
| C16 | C15 | H9 | 119.5° | 120.1° |
| C6 | C5 | C4 | 119.0° | 120.2° |
| C5 | C6 | C19 | 120.3° | 120.0° |
| C6 | C5 | H5 | 120.5° | 119.9° |
| C5 | C4 | CL1 | 117.6° | 119.9° |
| C5 | C4 | C3 | 121.9° | 120.2° |
| C4 | C5 | H5 | 120.5° | 119.9° |
| C6 | C19 | C2 | 120.2° | 119.8° |
| C6 | C19 | H12 | 119.9° | 120.1° |
| CL1 | C4 | C3 | 120.4° | 119.9° |
| C4 | C3 | C2 | 118.6° | 120.0° |
| C4 | C3 | H4 | 120.7° | 120.1° |
| C19 | C2 | C3 | 119.8° | 119.8° |
| C19 | C2 | C1 | 120.1° | 120.1° |
| C2 | C19 | H12 | 119.9° | 120.1° |
| C3 | C2 | C1 | 120.0° | 120.1° |
| C2 | C3 | H4 | 120.7° | 120.0° |
| C2 | C1 | N1 | 177.5° | 180.0° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H10 | C14 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL2 | C10 | C11 | C9 | 179.9° | 180.0° |
| CL2 | C10 | C11 | C12 | 179.0° | 180.0° |
| CL2 | C10 | C9 | C8 | 178.8° | 180.0° |
| CL2 | C10 | C11 | H1 | 1.0° | 0.1° |
| CL2 | C10 | C9 | H2 | 1.2° | 0.1° |
| C10 | C11 | C12 | H1 | 180.0° | 179.9° |
| C11 | C10 | C9 | C8 | 1.1° | 0.0° |
| C10 | C11 | C12 | O2 | 178.8° | 180.0° |
| C10 | C11 | C12 | C7 | 0.1° | 0.3° |
| C11 | C10 | C9 | H2 | 178.9° | 179.9° |
| C9 | C10 | C11 | C12 | 1.1° | 0.0° |
| C10 | C9 | C8 | H2 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 4.4° | 0.2° |
| C9 | C10 | C11 | H1 | 178.9° | 179.9° |
| C10 | C9 | C8 | H3 | 175.6° | 180.0° |
| C11 | C12 | O2 | C13 | 5.7° | 0.3° |
| C11 | C12 | O2 | C7 | 178.8° | 179.8° |
| C11 | C12 | C7 | C8 | 3.2° | 0.5° |
| C11 | C12 | C7 | O1 | 177.3° | 179.7° |
| C9 | C8 | C7 | C12 | 5.5° | 0.5° |
| C9 | C8 | C7 | H3 | 180.0° | 179.8° |
| C9 | C8 | C7 | O1 | 179.0° | 179.7° |
| O4 | C18 | N3 | N2 | 179.6° | 179.9° |
| O4 | C18 | N3 | C17 | 179.9° | 179.9° |
| O4 | C18 | N2 | C14 | 1.0° | 0.2° |
| O4 | C18 | N2 | C15 | 179.6° | 180.0° |
| O4 | C18 | N3 | H6 | 0.2° | 0.1° |
| O2 | C13 | C14 | H7 | 119.4° | 119.9° |
| O2 | C13 | C14 | H8 | 119.4° | 120.0° |
| C13 | O2 | C12 | C7 | 173.1° | 180.0° |
| O2 | C13 | C14 | N2 | 52.5° | 64.9° |
| O2 | C13 | H7 | H8 | 121.8° | 120.0° |
| O2 | C13 | C14 | H10 | 67.7° | 55.0° |
| O2 | C13 | C14 | H11 | 172.7° | 175.0° |
| C14 | C13 | O2 | C12 | 179.8° | 180.0° |
| C13 | C14 | N2 | C18 | 78.3° | 89.7° |
| C13 | C14 | N2 | H10 | 120.2° | 119.9° |
| C13 | C14 | N2 | H11 | 120.2° | 120.0° |
| C13 | C14 | N2 | C15 | 100.3° | 90.0° |
| C14 | C13 | H7 | H8 | 121.8° | 120.0° |
| C13 | C14 | H10 | H11 | 119.4° | 120.0° |
| O2 | C12 | C7 | C8 | 175.6° | 179.7° |
| O2 | C12 | C7 | O1 | 1.6° | 0.1° |
| O2 | C12 | C11 | H1 | 1.2° | 0.0° |
| C12 | O2 | C13 | H7 | 60.8° | 60.0° |
| C12 | O2 | C13 | H8 | 60.4° | 60.0° |
| C12 | C7 | C8 | O1 | 173.5° | 179.8° |
| C12 | C7 | O1 | C6 | 123.9° | 179.9° |
| C7 | C12 | C11 | H1 | 179.9° | 179.8° |
| C12 | C7 | C8 | H3 | 174.5° | 179.7° |
| C8 | C7 | O1 | C6 | 49.9° | 0.3° |
| C7 | C8 | C9 | H2 | 175.6° | 179.7° |
| C18 | N3 | C17 | H6 | 180.0° | 180.0° |
| N3 | C18 | N2 | C14 | 179.4° | 179.7° |
| N3 | C18 | N2 | C15 | 0.8° | 0.1° |
| C18 | N3 | C17 | O3 | 179.9° | 180.0° |
| C18 | N3 | C17 | C16 | 0.3° | 0.0° |
| N2 | C18 | N3 | C17 | 0.5° | 0.0° |
| C18 | N2 | C14 | C15 | 178.6° | 179.8° |
| C18 | N2 | C15 | C16 | 0.9° | 0.1° |
| N2 | C18 | N3 | H6 | 179.4° | 180.0° |
| C18 | N2 | C15 | H9 | 179.1° | 180.0° |
| C18 | N2 | C14 | H10 | 161.5° | 30.2° |
| C18 | N2 | C14 | H11 | 41.9° | 150.2° |
| C7 | O1 | C6 | C5 | 24.0° | 90.1° |
| C7 | O1 | C6 | C19 | 153.1° | 90.1° |
| O1 | C7 | C8 | H3 | 1.0° | 0.1° |
| N3 | C17 | O3 | C16 | 179.7° | 179.9° |
| N3 | C17 | C16 | C15 | 0.4° | 0.0° |
| N3 | C17 | C16 | CL3 | 179.9° | 179.9° |
| C14 | N2 | C15 | C16 | 179.5° | 179.7° |
| N2 | C14 | C13 | H7 | 171.9° | 55.0° |
| N2 | C14 | C13 | H8 | 66.9° | 175.0° |
| C14 | N2 | C15 | H9 | 0.5° | 0.2° |
| N2 | C14 | H10 | H11 | 119.3° | 120.0° |
| N2 | C15 | C16 | C17 | 0.7° | 0.0° |
| N2 | C15 | C16 | H9 | 180.0° | 179.9° |
| N2 | C15 | C16 | CL3 | 179.6° | 180.0° |
| C15 | N2 | C14 | H10 | 19.9° | 150.0° |
| C15 | N2 | C14 | H11 | 139.5° | 30.0° |
| O3 | C17 | C16 | C15 | 179.9° | 180.0° |
| O3 | C17 | C16 | CL3 | 0.1° | 0.0° |
| O3 | C17 | N3 | H6 | 0.1° | 0.0° |
| C17 | C16 | C15 | CL3 | 179.8° | 180.0° |
| C16 | C17 | N3 | H6 | 179.7° | 180.0° |
| C17 | C16 | C15 | H9 | 179.3° | 180.0° |
| O1 | C6 | C5 | C19 | 177.1° | 179.7° |
| O1 | C6 | C5 | C4 | 179.7° | 180.0° |
| O1 | C6 | C19 | C2 | 179.8° | 179.7° |
| O1 | C6 | C5 | H5 | 0.3° | 0.3° |
| O1 | C6 | C19 | H12 | 0.2° | 0.3° |
| CL3 | C16 | C15 | H9 | 0.5° | 0.1° |
| C6 | C5 | C4 | H5 | 180.0° | 179.7° |
| C6 | C5 | C4 | CL1 | 178.4° | 180.0° |
| C6 | C5 | C4 | C3 | 2.9° | 0.0° |
| C5 | C6 | C19 | C2 | 3.1° | 0.5° |
| C5 | C6 | C19 | H12 | 177.0° | 180.0° |
| C4 | C5 | C6 | C19 | 3.2° | 0.3° |
| C5 | C4 | CL1 | C3 | 178.7° | 180.0° |
| C5 | C4 | C3 | C2 | 2.4° | 0.0° |
| C5 | C4 | C3 | H4 | 177.6° | 180.0° |
| C6 | C19 | C2 | H12 | 180.0° | 179.4° |
| C6 | C19 | C2 | C3 | 2.5° | 0.5° |
| C6 | C19 | C2 | C1 | 179.9° | 179.7° |
| C19 | C6 | C5 | H5 | 176.8° | 180.0° |
| CL1 | C4 | C3 | C2 | 178.9° | 180.0° |
| CL1 | C4 | C3 | H4 | 1.1° | 0.1° |
| CL1 | C4 | C5 | H5 | 1.6° | 0.3° |
| C4 | C3 | C2 | C19 | 2.2° | 0.2° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 179.5° | 180.0° |
| C3 | C4 | C5 | H5 | 177.1° | 179.7° |
| C19 | C2 | C3 | C1 | 177.3° | 179.8° |
| C19 | C2 | C1 | N1 | 94.0° | 74.4° |
| C19 | C2 | C3 | H4 | 177.8° | 179.8° |
| C3 | C2 | C1 | N1 | 88.6° | 105.4° |
| C3 | C2 | C19 | H12 | 177.5° | 179.9° |
| C1 | C2 | C3 | H4 | 0.5° | 0.0° |
| C1 | C2 | C19 | H12 | 0.1° | 0.3° |
| H2 | C9 | C8 | H3 | 4.4° | 0.1° |
| H7 | C13 | C14 | H10 | 51.7° | 174.9° |
| H7 | C13 | C14 | H11 | 67.9° | 65.0° |
| H8 | C13 | C14 | H10 | 172.9° | 65.0° |
| H8 | C13 | C14 | H11 | 53.3° | 55.0° |
