VHQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C | sing | 1.74Å | 1.73Å | |
| N | C | doub | 1.32Å | 1.32Å | Aromatic |
| N | C4 | sing | 1.32Å | 1.34Å | Aromatic |
| C | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C15 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | doub | 1.41Å | 1.41Å | Aromatic |
| C15 | N3 | trip | 1.14Å | 1.14Å | |
| C3 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | N1 | sing | 1.39Å | 1.38Å | |
| N1 | C5 | sing | 1.40Å | 1.40Å | |
| C5 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.41Å | 1.40Å | Aromatic |
| C7 | C14 | sing | 1.47Å | 1.44Å | |
| C8 | N2 | sing | 1.38Å | 1.40Å | |
| C14 | C13 | doub | 1.36Å | 1.34Å | |
| N2 | C11 | sing | 1.46Å | 1.46Å | |
| N2 | C12 | sing | 1.34Å | 1.40Å | |
| C13 | C12 | sing | 1.41Å | 1.44Å | |
| C12 | O | doub | 1.22Å | 1.22Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C | N | 116.6° | 119.7° |
| CL | C | C1 | 118.6° | 119.7° |
| C | N | C4 | 116.8° | 122.1° |
| N | C | C1 | 124.8° | 120.6° |
| N | C4 | C3 | 124.0° | 121.2° |
| N | C4 | H5 | 118.0° | 119.4° |
| C | C1 | C15 | 122.0° | 120.6° |
| C | C1 | C2 | 117.8° | 118.7° |
| C4 | C3 | C2 | 118.8° | 119.2° |
| C3 | C4 | H5 | 118.0° | 119.3° |
| C4 | C3 | H6 | 120.6° | 120.4° |
| C15 | C1 | C2 | 120.2° | 120.7° |
| C1 | C15 | N3 | 177.0° | 179.9° |
| C1 | C2 | C3 | 117.8° | 118.1° |
| C1 | C2 | N1 | 120.6° | 120.9° |
| C3 | C2 | N1 | 121.6° | 120.9° |
| C2 | C3 | H6 | 120.6° | 120.4° |
| C2 | N1 | C5 | 123.5° | 120.0° |
| C2 | N1 | H10 | 118.2° | 120.0° |
| N1 | C5 | C10 | 117.0° | 119.9° |
| N1 | C5 | C6 | 122.7° | 119.9° |
| C5 | N1 | H10 | 118.3° | 120.0° |
| C10 | C5 | C6 | 120.2° | 120.3° |
| C5 | C10 | C9 | 120.5° | 120.6° |
| C5 | C10 | H8 | 119.8° | 119.7° |
| C5 | C6 | C7 | 120.1° | 119.5° |
| C5 | C6 | H4 | 120.0° | 120.2° |
| C10 | C9 | C8 | 119.7° | 120.0° |
| C10 | C9 | H7 | 120.1° | 120.0° |
| C9 | C10 | H8 | 119.8° | 119.7° |
| C6 | C7 | C8 | 119.0° | 120.0° |
| C6 | C7 | C14 | 122.4° | 121.0° |
| C7 | C6 | H4 | 120.0° | 120.2° |
| C9 | C8 | C7 | 120.6° | 119.6° |
| C9 | C8 | N2 | 120.3° | 120.8° |
| C8 | C9 | H7 | 120.1° | 120.0° |
| C8 | C7 | C14 | 118.6° | 119.0° |
| C7 | C8 | N2 | 119.1° | 119.6° |
| C7 | C14 | C13 | 120.9° | 118.6° |
| C7 | C14 | H9 | 119.6° | 120.7° |
| C8 | N2 | C11 | 119.1° | 119.6° |
| C8 | N2 | C12 | 123.0° | 120.9° |
| C14 | C13 | C12 | 122.3° | 120.2° |
| C13 | C14 | H9 | 119.6° | 120.8° |
| C14 | C13 | H11 | 118.9° | 119.9° |
| C11 | N2 | C12 | 117.9° | 119.5° |
| N2 | C11 | H1 | 109.5° | 109.5° |
| N2 | C11 | H2 | 109.5° | 109.5° |
| N2 | C11 | H3 | 109.5° | 109.5° |
| N2 | C12 | C13 | 116.2° | 121.7° |
| N2 | C12 | O | 119.2° | 119.2° |
| C13 | C12 | O | 124.6° | 119.2° |
| C12 | C13 | H11 | 118.9° | 119.9° |
| H1 | C11 | H2 | 109.5° | 109.5° |
| H1 | C11 | H3 | 109.5° | 109.5° |
| H2 | C11 | H3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C | N | C1 | 179.8° | 180.0° |
| CL | C | N | C4 | 179.7° | 180.0° |
| CL | C | C1 | C15 | 0.0° | 0.1° |
| CL | C | C1 | C2 | 179.9° | 179.7° |
| C | N | C4 | C3 | 0.2° | 0.2° |
| N | C | C1 | C15 | 179.8° | 180.0° |
| N | C | C1 | C2 | 0.1° | 0.3° |
| C | N | C4 | H5 | 179.8° | 180.0° |
| C4 | N | C | C1 | 0.1° | 0.0° |
| N | C4 | C3 | H5 | 180.0° | 179.8° |
| N | C4 | C3 | C2 | 0.1° | 0.2° |
| N | C4 | C3 | H6 | 179.8° | 179.7° |
| C | C1 | C15 | C2 | 179.9° | 179.7° |
| C | C1 | C15 | N3 | 3.7° | 178.9° |
| C | C1 | C2 | C3 | 0.2° | 0.3° |
| C | C1 | C2 | N1 | 179.8° | 179.7° |
| C4 | C3 | C2 | C1 | 0.1° | 0.1° |
| C4 | C3 | C2 | H6 | 180.0° | 179.9° |
| C4 | C3 | C2 | N1 | 179.7° | 180.0° |
| C15 | C1 | C2 | C3 | 179.8° | 180.0° |
| C15 | C1 | C2 | N1 | 0.2° | 0.1° |
| C2 | C1 | C15 | N3 | 176.4° | 0.8° |
| C1 | C2 | C3 | N1 | 179.6° | 180.0° |
| C1 | C2 | N1 | C5 | 178.2° | 172.5° |
| C1 | C2 | C3 | H6 | 180.0° | 180.0° |
| C1 | C2 | N1 | H10 | 1.8° | 7.5° |
| C3 | C2 | N1 | C5 | 1.4° | 7.4° |
| C2 | C3 | C4 | H5 | 179.9° | 180.0° |
| C3 | C2 | N1 | H10 | 178.6° | 172.5° |
| C2 | N1 | C5 | H10 | 180.0° | 179.9° |
| C2 | N1 | C5 | C10 | 52.8° | 138.3° |
| C2 | N1 | C5 | C6 | 123.0° | 41.8° |
| N1 | C2 | C3 | H6 | 0.4° | 0.0° |
| N1 | C5 | C10 | C6 | 175.9° | 179.9° |
| N1 | C5 | C10 | C9 | 175.0° | 179.7° |
| N1 | C5 | C6 | C7 | 174.7° | 180.0° |
| N1 | C5 | C6 | H4 | 5.3° | 0.1° |
| N1 | C5 | C10 | H8 | 5.0° | 0.1° |
| C5 | C10 | C9 | H8 | 180.0° | 179.6° |
| C10 | C5 | C6 | C7 | 0.9° | 0.1° |
| C5 | C10 | C9 | C8 | 0.3° | 0.6° |
| C10 | C5 | C6 | H4 | 179.0° | 180.0° |
| C5 | C10 | C9 | H7 | 179.7° | 180.0° |
| C10 | C5 | N1 | H10 | 127.2° | 41.6° |
| C6 | C5 | C10 | C9 | 0.9° | 0.4° |
| C5 | C6 | C7 | H4 | 180.0° | 179.8° |
| C5 | C6 | C7 | C8 | 0.4° | 0.1° |
| C5 | C6 | C7 | C14 | 178.9° | 179.7° |
| C6 | C5 | C10 | H8 | 179.1° | 180.0° |
| C6 | C5 | N1 | H10 | 57.0° | 138.3° |
| C10 | C9 | C8 | H7 | 180.0° | 179.4° |
| C10 | C9 | C8 | C7 | 0.3° | 0.6° |
| C10 | C9 | C8 | N2 | 179.1° | 179.4° |
| C6 | C7 | C8 | C9 | 0.3° | 0.4° |
| C6 | C7 | C8 | C14 | 179.2° | 179.6° |
| C6 | C7 | C8 | N2 | 179.1° | 179.7° |
| C6 | C7 | C14 | C13 | 178.7° | 179.6° |
| C6 | C7 | C14 | H9 | 1.3° | 0.3° |
| C9 | C8 | C7 | N2 | 179.4° | 180.0° |
| C9 | C8 | C7 | C14 | 179.5° | 180.0° |
| C9 | C8 | N2 | C11 | 2.2° | 0.0° |
| C9 | C8 | N2 | C12 | 178.8° | 180.0° |
| C8 | C9 | C10 | H8 | 179.7° | 179.8° |
| C8 | C7 | C14 | C13 | 0.5° | 0.0° |
| C7 | C8 | N2 | C11 | 178.4° | 180.0° |
| C7 | C8 | N2 | C12 | 0.6° | 0.0° |
| C8 | C7 | C6 | H4 | 179.6° | 180.0° |
| C7 | C8 | C9 | H7 | 179.7° | 180.0° |
| C8 | C7 | C14 | H9 | 179.5° | 179.9° |
| C14 | C7 | C8 | N2 | 0.1° | 0.1° |
| C7 | C14 | C13 | H9 | 180.0° | 179.9° |
| C7 | C14 | C13 | C12 | 0.2° | 0.0° |
| C14 | C7 | C6 | H4 | 1.1° | 0.4° |
| C7 | C14 | C13 | H11 | 179.8° | 180.0° |
| C8 | N2 | C11 | C12 | 179.1° | 180.0° |
| C8 | N2 | C12 | C13 | 0.9° | 0.0° |
| C8 | N2 | C12 | O | 178.2° | 180.0° |
| C8 | N2 | C11 | H1 | 180.0° | 90.0° |
| C8 | N2 | C11 | H2 | 60.0° | 150.0° |
| C8 | N2 | C11 | H3 | 60.0° | 30.1° |
| N2 | C8 | C9 | H7 | 0.9° | 0.0° |
| C14 | C13 | C12 | N2 | 0.5° | 0.0° |
| C14 | C13 | C12 | H11 | 180.0° | 179.9° |
| C14 | C13 | C12 | O | 178.5° | 180.0° |
| C11 | N2 | C12 | C13 | 178.1° | 180.0° |
| C11 | N2 | C12 | O | 2.8° | 0.0° |
| N2 | C11 | H1 | H2 | 120.0° | 120.0° |
| N2 | C11 | H1 | H3 | 120.0° | 120.0° |
| N2 | C11 | H2 | H3 | 120.0° | 120.0° |
| N2 | C12 | C13 | O | 179.0° | 180.0° |
| C12 | N2 | C11 | H1 | 0.9° | 90.0° |
| C12 | N2 | C11 | H2 | 119.1° | 30.0° |
| C12 | N2 | C11 | H3 | 120.9° | 150.0° |
| N2 | C12 | C13 | H11 | 179.5° | 180.0° |
| C12 | C13 | C14 | H9 | 179.8° | 180.0° |
| O | C12 | C13 | H11 | 1.5° | 0.1° |
| H1 | C11 | H2 | H3 | 120.0° | 120.0° |
| H5 | C4 | C3 | H6 | 0.2° | 0.0° |
| H7 | C9 | C10 | H8 | 0.3° | 0.4° |
| H9 | C14 | C13 | H11 | 0.2° | 0.1° |
